High-quality text embedding is pivotal in improving semantic textual similarity (STS) tasks, which are crucial components in Large Language Model (LLM) applications. However, a common challenge existing text embedding models face is the problem of vanishing gradients, primarily due to their reliance on the cosine function in the optimization objective, which has saturation zones. To address this issue, this paper proposes a novel angle-optimized text embedding model called AnglE. The core idea of AnglE is to introduce angle optimization in a complex space. This novel approach effectively mitigates the adverse effects of the saturation zone in the cosine function, which can impede gradient and hinder optimization processes. To set up a comprehensive STS evaluation, we experimented on existing short-text STS datasets and a newly collected long-text STS dataset from GitHub Issues. Furthermore, we examine domain-specific STS scenarios with limited labeled data and explore how AnglE works with LLM-annotated data. Extensive experiments were conducted on various tasks including short-text STS, long-text STS, and domain-specific STS tasks. The results show that AnglE outperforms the state-of-the-art (SOTA) STS models that ignore the cosine saturation zone. These findings demonstrate the ability of AnglE to generate high-quality text embeddings and the usefulness of angle optimization in STS.  ( 2 min )

We formalize and interpret the geometric structure of $d$-dimensional fully connected ReLU layers in neural networks. The parameters of a ReLU layer induce a natural partition of the input domain, such that the ReLU layer can be significantly simplified in each sector of the partition. This leads to a geometric interpretation of a ReLU layer as a projection onto a polyhedral cone followed by an affine transformation, in line with the description in [doi:10.48550/arXiv.1905.08922] for convolutional networks with ReLU activations. Further, this structure facilitates simplified expressions for preimages of the intersection between partition sectors and hyperplanes, which is useful when describing decision boundaries in a classification setting. We investigate this in detail for a feed-forward network with one hidden ReLU-layer, where we provide results on the geometric complexity of the decision boundary generated by such networks, as well as proving that modulo an affine transformation, such a network can only generate $d$ different decision boundaries. Finally, the effect of adding more layers to the network is discussed.  ( 2 min )

Foundation Models (FMs), such as LLaMA, BERT, GPT, ViT, and CLIP, have demonstrated remarkable success in a wide range of applications, driven by their ability to leverage vast amounts of data for pre-training. However, optimizing FMs often requires access to sensitive data, raising privacy concerns and limiting their applicability in many domains. In this paper, we propose the Federated Foundation Models (FFMs) paradigm, which combines the benefits of FMs and Federated Learning (FL) to enable privacy-preserving and collaborative learning across multiple end-users. We discuss the potential benefits and challenges of integrating FL into the lifespan of FMs, covering pre-training, fine-tuning, and application. We further outline potential future research avenues in FFM, including FFM pre-training, FFM fine-tuning, and federated prompt tuning, which allow the development of more personalized and context-aware models while ensuring data privacy. Moreover, we explore the possibility of continual/lifelong learning in FFMs, as increased computational power at the edge may unlock the potential for optimizing FMs using newly generated private data close to the data source. The proposed FFM concepts offer a flexible and scalable framework for training large language models in a privacy-preserving manner, setting the stage for subsequent advancements in both FM training and federated learning.  ( 2 min )

How can we find meaningful clusters in a graph robustly against noise edges? Graph clustering (i.e., dividing nodes into groups of similar ones) is a fundamental problem in graph analysis with applications in various fields. Recent studies have demonstrated that graph neural network (GNN) based approaches yield promising results for graph clustering. However, we observe that their performance degenerates significantly on graphs with noise edges, which are prevalent in practice. In this work, we propose MetaGC for robust GNN-based graph clustering. MetaGC employs a decomposable clustering loss function, which can be rephrased as a sum of losses over node pairs. We add a learnable weight to each node pair, and MetaGC adaptively adjusts the weights of node pairs using meta-weighting so that the weights of meaningful node pairs increase and the weights of less-meaningful ones (e.g., noise edges) decrease. We show empirically that MetaGC learns weights as intended and consequently outperforms the state-of-the-art GNN-based competitors, even when they are equipped with separate denoising schemes, on five real-world graphs under varying levels of noise. Our code and datasets are available at https://github.com/HyeonsooJo/MetaGC.  ( 2 min )

Large language models have astounded the world with fascinating new capabilities. However, they currently lack the ability to teach themselves new skills, relying instead on large amounts of human-generated training data. We introduce SECToR (Self-Education via Chain-of-Thought Reasoning), a proof-of-concept demonstration that language models can teach themselves new skills using chain-of-thought reasoning. During the self-learning loop, SECToR asks models to solve addition problems using chain-of-thought reasoning before training the next version of the model to solve those same problems directly without using such reasoning. This process often results in an improved model which can, when again augmented with chain-of-thought reasoning, solve even harder problems than the original model, allowing the self-learning loop to continue. Language models trained via SECToR autonomously learn to add up to the longest-length-digit numbers without access to any ground truth examples beyond an initial supervised fine-tuning phase consisting only of numbers with 6 or fewer digits. Our central hypothesis is that chain-of-thought reasoning can act as a policy improvement operator, similarly to how Monte-Carlo Tree Search is used in AlphaZero (Silver et al., 2017). We hope that this research can lead to new directions in which language models can learn to teach themselves without the need for human demonstrations.  ( 2 min )

We have formulated generative machine learning problems as the time evolution of Parametric Probabilistic Models (PPMs), inherently rendering a thermodynamic process. Then, we have studied the thermodynamic exchange between the model's parameters, denoted as $\Theta$, and the model's generated samples, denoted as $X$. We demonstrate that the training dataset and the action of the Stochastic Gradient Descent (SGD) optimizer serve as a work source that governs the time evolution of these two subsystems. Our findings reveal that the model learns through the dissipation of heat during the generation of samples $X$, leading to an increase in the entropy of the model's parameters, $\Theta$. Thus, the parameter subsystem acts as a heat reservoir, effectively storing the learned information. Furthermore, the role of the model's parameters as a heat reservoir provides valuable thermodynamic insights into the generalization power of over-parameterized models. This approach offers an unambiguous framework for computing information-theoretic quantities within deterministic neural networks by establishing connections with thermodynamic variables. To illustrate the utility of this framework, we introduce two information-theoretic metrics: Memorized-information (M-info) and Learned-information (L-info), which trace the dynamic flow of information during the learning process of PPMs.  ( 2 min )

Recently proposed long-form question answering (QA) systems, supported by large language models (LLMs), have shown promising capabilities. Yet, attributing and verifying their generated abstractive answers can be difficult, and automatically evaluating their accuracy remains an ongoing challenge. In this work, we introduce a new QA task for answering multi-answer questions by summarizing multiple diverse sources in a semi-extractive fashion. Specifically, Semi-extractive Multi-source QA (SEMQA) requires models to output a comprehensive answer, while mixing factual quoted spans -- copied verbatim from given input sources -- and non-factual free-text connectors that glue these spans together into a single cohesive passage. This setting bridges the gap between the outputs of well-grounded but constrained extractive QA systems and more fluent but harder to attribute fully abstractive answers. Particularly, it enables a new mode for language models that leverages their advanced language generation capabilities, while also producing fine in-line attributions by-design that are easy to verify, interpret, and evaluate. To study this task, we create the first dataset of this kind, QuoteSum, with human-written semi-extractive answers to natural and generated questions, and define text-based evaluation metrics. Experimenting with several LLMs in various settings, we find this task to be surprisingly challenging, demonstrating the importance of QuoteSum for developing and studying such consolidation capabilities.  ( 2 min )

In many text-generation problems, users may prefer not only a single response, but a diverse range of high-quality outputs from which to choose. Quality-diversity (QD) search algorithms aim at such outcomes, by continually improving and diversifying a population of candidates. However, the applicability of QD to qualitative domains, like creative writing, has been limited by the difficulty of algorithmically specifying measures of quality and diversity. Interestingly, recent developments in language models (LMs) have enabled guiding search through AI feedback, wherein LMs are prompted in natural language to evaluate qualitative aspects of text. Leveraging this development, we introduce Quality-Diversity through AI Feedback (QDAIF), wherein an evolutionary algorithm applies LMs to both generate variation and evaluate the quality and diversity of candidate text. When assessed on creative writing domains, QDAIF covers more of a specified search space with high-quality samples than do non-QD controls. Further, human evaluation of QDAIF-generated creative texts validates reasonable agreement between AI and human evaluation. Our results thus highlight the potential of AI feedback to guide open-ended search for creative and original solutions, providing a recipe that seemingly generalizes to many domains and modalities. In this way, QDAIF is a step towards AI systems that can independently search, diversify, evaluate, and improve, which are among the core skills underlying human society's capacity for innovation.  ( 3 min )

The Fokker-Plank-Kolmogorov (FPK) equation is an idealized model representing many stochastic systems commonly encountered in the analysis of stochastic structures as well as many other applications. Its solution thus provides an invaluable insight into the performance of many engineering systems. Despite its great importance, the solution of the FPK equation is still extremely challenging. For systems of practical significance, the FPK equation is usually high dimensional, rendering most of the numerical methods ineffective. In this respect, the present work introduces the FPK-DP Net as a physics-informed network that encodes the physical insights, i.e. the governing constrained differential equations emanated out of physical laws, into a deep neural network. FPK-DP Net is a mesh-free learning method that can solve the density evolution of stochastic dynamics subjected to additive white Gaussian noise without any prior simulation data and can be used as an efficient surrogate model afterward. FPK-DP Net uses the dimension-reduced FPK equation. Therefore, it can be used to address high-dimensional practical problems as well. To demonstrate the potential applicability of the proposed framework, and to study its accuracy and efficacy, numerical implementations on five different benchmark problems are investigated.  ( 3 min )

Despite the limited availability and quantum volume of quantum computers, quantum image representation is a widely researched area. Currently developed methods use quantum entanglement to encode information about pixel positions. These methods range from using the angle parameter of the rotation gate (e.g., the Flexible Representation of Quantum Images, FRQI), sequences of qubits (e.g., Novel Enhanced Quantum Representation, NEQR), or the angle parameter of the phase shift gates (e.g., Local Phase Image Quantum Encoding, LPIQE) for storing color information. All these methods are significantly affected by decoherence and other forms of quantum noise, which is an inseparable part of quantum computing in the noisy intermediate-scale quantum era. These phenomena can highly influence the measurements and result in extracted images that are visually dissimilar to the originals. Because this process is at its foundation quantum, the computational reversal of this process is possible. There are many methods for error correction, mitigation, and reduction, but all of them use quantum computer time or additional qubits to achieve the desired result. We report the successful use of a generative adversarial network trained for image-to-image translation, in conjunction with Phase Distortion Unraveling error reduction method, for reducing overall error in images encoded using LPIQE.  ( 2 min )

Eosinophilic Esophagitis (EoE) is an allergic condition increasing in prevalence. To diagnose EoE, pathologists must find 15 or more eosinophils within a single high-power field (400X magnification). Determining whether or not a patient has EoE can be an arduous process and any medical imaging approaches used to assist diagnosis must consider both efficiency and precision. We propose an improvement of Adorno et al's approach for quantifying eosinphils using deep image segmentation. Our new approach leverages Monte Carlo Dropout, a common approach in deep learning to reduce overfitting, to provide uncertainty quantification on current deep learning models. The uncertainty can be visualized in an output image to evaluate model performance, provide insight to how deep learning algorithms function, and assist pathologists in identifying eosinophils.  ( 2 min )

Evaluating explanations of image classifiers regarding ground truth, e.g. segmentation masks defined by human perception, primarily evaluates the quality of the models under consideration rather than the explanation methods themselves. Driven by this observation, we propose a framework for $\textit{jointly}$ evaluating the robustness of safety-critical systems that $\textit{combine}$ a deep neural network with an explanation method. These are increasingly used in real-world applications like medical image analysis or robotics. We introduce a fine-tuning procedure to (mis)align model$\unicode{x2013}$explanation pipelines with ground truth and use it to quantify the potential discrepancy between worst and best-case scenarios of human alignment. Experiments across various model architectures and post-hoc local interpretation methods provide insights into the robustness of vision transformers and the overall vulnerability of such AI systems to potential adversarial attacks.  ( 2 min )

Many constraint satisfaction and optimisation problems can be solved effectively by encoding them as instances of the Boolean Satisfiability problem (SAT). However, even the simplest types of constraints have many encodings in the literature with widely varying performance, and the problem of selecting suitable encodings for a given problem instance is not trivial. We explore the problem of selecting encodings for pseudo-Boolean and linear constraints using a supervised machine learning approach. We show that it is possible to select encodings effectively using a standard set of features for constraint problems; however we obtain better performance with a new set of features specifically designed for the pseudo-Boolean and linear constraints. In fact, we achieve good results when selecting encodings for unseen problem classes. Our results compare favourably to AutoFolio when using the same feature set. We discuss the relative importance of instance features to the task of selecting the best encodings, and compare several variations of the machine learning method.  ( 2 min )

Fetal brain MRI is becoming an increasingly relevant complement to neurosonography for perinatal diagnosis, allowing fundamental insights into fetal brain development throughout gestation. However, uncontrolled fetal motion and heterogeneity in acquisition protocols lead to data of variable quality, potentially biasing the outcome of subsequent studies. We present FetMRQC, an open-source machine-learning framework for automated image quality assessment and quality control that is robust to domain shifts induced by the heterogeneity of clinical data. FetMRQC extracts an ensemble of quality metrics from unprocessed anatomical MRI and combines them to predict experts' ratings using random forests. We validate our framework on a pioneeringly large and diverse dataset of more than 1600 manually rated fetal brain T2-weighted images from four clinical centers and 13 different scanners. Our study shows that FetMRQC's predictions generalize well to unseen data while being interpretable. FetMRQC is a step towards more robust fetal brain neuroimaging, which has the potential to shed new insights on the developing human brain.  ( 3 min )

Transformers have surpassed RNNs in popularity due to their superior abilities in parallel training and long-term dependency modeling. Recently, there has been a renewed interest in using linear RNNs for efficient sequence modeling. These linear RNNs often employ gating mechanisms in the output of the linear recurrence layer while ignoring the significance of using forget gates within the recurrence. In this paper, we propose a gated linear RNN model dubbed Hierarchically Gated Recurrent Neural Network (HGRN), which includes forget gates that are lower bounded by a learnable value. The lower bound increases monotonically when moving up layers. This allows the upper layers to model long-term dependencies and the lower layers to model more local, short-term dependencies. Experiments on language modeling, image classification, and long-range arena benchmarks showcase the efficiency and effectiveness of our proposed model. The source code is available at https://github.com/OpenNLPLab/HGRN.  ( 2 min )

Deep learning has taken by storm all fields involved in data analysis, including remote sensing for Earth observation. However, despite significant advances in terms of performance, its lack of explainability and interpretability, inherent to neural networks in general since their inception, remains a major source of criticism. Hence it comes as no surprise that the expansion of deep learning methods in remote sensing is being accompanied by increasingly intensive efforts oriented towards addressing this drawback through the exploration of a wide spectrum of Explainable Artificial Intelligence techniques. This chapter, organized according to prominent Earth observation application fields, presents a panorama of the state-of-the-art in explainable remote sensing image analysis.  ( 2 min )

The rapid growth of wearable sensor technologies holds substantial promise for the field of personalized and context-aware Human Activity Recognition. Given the inherently decentralized nature of data sources within this domain, the utilization of multi-agent systems with their inherent decentralization capabilities presents an opportunity to facilitate the development of scalable, adaptable, and privacy-conscious methodologies. This paper introduces a collaborative distributed learning approach rooted in multi-agent principles, wherein individual users of sensor-equipped devices function as agents within a distributed network, collectively contributing to the comprehensive process of learning and classifying human activities. In this proposed methodology, not only is the privacy of activity monitoring data upheld for each individual, eliminating the need for an external server to oversee the learning process, but the system also exhibits the potential to surmount the limitations of conventional centralized models and adapt to the unique attributes of each user. The proposed approach has been empirically tested on two publicly accessible human activity recognition datasets, specifically PAMAP2 and HARTH, across varying settings. The provided empirical results conclusively highlight the efficacy of inter-individual collaborative learning when contrasted with centralized configurations, both in terms of local and global generalization.

Online learning quantum states with the logarithmic loss (LL-OLQS) is a quantum generalization of online portfolio selection, a classic open problem in the field of online learning for over three decades. The problem also emerges in designing randomized optimization algorithms for maximum-likelihood quantum state tomography. Recently, Jezequel et al. (arXiv:2209.13932) proposed the VB-FTRL algorithm, the first nearly regret-optimal algorithm for OPS with moderate computational complexity. In this note, we generalize VB-FTRL for LL-OLQS. Let $d$ denote the dimension and $T$ the number of rounds. The generalized algorithm achieves a regret rate of $O ( d^2 \log ( d + T ) )$ for LL-OLQS. Each iteration of the algorithm consists of solving a semidefinite program that can be implemented in polynomial time by, e.g., cutting-plane methods. For comparison, the best-known regret rate for LL-OLQS is currently $O ( d^2 \log T )$, achieved by the exponential weight method. However, there is no explicit implementation available for the exponential weight method for LL-OLQS. To facilitate the generalization, we introduce the notion of VB-convexity. VB-convexity is a sufficient condition for the logarithmic barrier associated with any function to be convex and is of independent interest.

Kernel ridge regression, KRR, is a generalization of linear ridge regression that is non-linear in the data, but linear in the parameters. Here, we introduce an equivalent formulation of the objective function of KRR, opening up both for using penalties other than the ridge penalty and for studying kernel ridge regression from the perspective of gradient descent. Using a continuous-time perspective, we derive a closed-form solution for solving kernel regression with gradient descent, something we refer to as kernel gradient flow, KGF, and theoretically bound the differences between KRR and KGF, where, for the latter, regularization is obtained through early stopping. We also generalize KRR by replacing the ridge penalty with the $\ell_1$ and $\ell_\infty$ penalties, respectively, and use the fact that analogous to the similarities between KGF and KRR, $\ell_1$ regularization and forward stagewise regression (also known as coordinate descent), and $\ell_\infty$ regularization and sign gradient descent, follow similar solution paths. We can thus alleviate the need for computationally heavy algorithms based on proximal gradient descent. We show theoretically and empirically how the $\ell_1$ and $\ell_\infty$ penalties, and the corresponding gradient-based optimization algorithms, produce sparse and robust kernel regression solutions, respectively.

In this paper, we present new high-probability PAC-Bayes bounds for different types of losses. Firstly, for losses with a bounded range, we recover a strengthened version of Catoni's bound that holds uniformly for all parameter values. This leads to new fast rate and mixed rate bounds that are interpretable and tighter than previous bounds in the literature. In particular, the fast rate bound is equivalent to the Seeger--Langford bound. Secondly, for losses with more general tail behaviors, we introduce two new parameter-free bounds: a PAC-Bayes Chernoff analogue when the loss' cumulative generating function is bounded, and a bound when the loss' second moment is bounded. These two bounds are obtained using a new technique based on a discretization of the space of possible events for the "in probability" parameter optimization problem. This technique is both simpler and more general than previous approaches optimizing over a grid on the parameters' space. Finally, we extend all previous results to anytime-valid bounds using a simple technique applicable to any existing bound.

To avoid failures on out-of-distribution data, recent works have sought to extract features that have an invariant or stable relationship with the label across domains, discarding "spurious" or unstable features whose relationship with the label changes across domains. However, unstable features often carry complementary information that could boost performance if used correctly in the test domain. In this work, we show how this can be done without test-domain labels. In particular, we prove that pseudo-labels based on stable features provide sufficient guidance for doing so, provided that stable and unstable features are conditionally independent given the label. Based on this theoretical insight, we propose Stable Feature Boosting (SFB), an algorithm for: (i) learning a predictor that separates stable and conditionally-independent unstable features; and (ii) using the stable-feature predictions to adapt the unstable-feature predictions in the test domain. Theoretically, we prove that SFB can learn an asymptotically-optimal predictor without test-domain labels. Empirically, we demonstrate the effectiveness of SFB on real and synthetic data.

Beam Tree Recursive Neural Network (BT-RvNN) was recently proposed as a simple extension of Gumbel Tree RvNN and it was shown to achieve state-of-the-art length generalization performance in ListOps while maintaining comparable performance on other tasks. However, although not the worst in its kind, BT-RvNN can be still exorbitantly expensive in memory usage. In this paper, we identify the main bottleneck in BT-RvNN's memory usage to be the entanglement of the scorer function and the recursive cell function. We propose strategies to remove this bottleneck and further simplify its memory usage. Overall, our strategies not only reduce the memory usage of BT-RvNN by $10$-$16$ times but also create a new state-of-the-art in ListOps while maintaining similar performance in other tasks. In addition, we also propose a strategy to utilize the induced latent-tree node representations produced by BT-RvNN to turn BT-RvNN from a sentence encoder of the form $f:\mathbb{R}^{n \times d} \rightarrow \mathbb{R}^{d}$ into a sequence contextualizer of the form $f:\mathbb{R}^{n \times d} \rightarrow \mathbb{R}^{n \times d}$. Thus, our proposals not only open up a path for further scalability of RvNNs but also standardize a way to use BT-RvNNs as another building block in the deep learning toolkit that can be easily stacked or interfaced with other popular models such as Transformers and Structured State Space models.

Vanilla federated learning does not support learning in an online environment, learning a personalized model on each client, and learning in a decentralized setting. There are existing methods extending federated learning in each of the three aspects. However, some important applications on enterprise edge servers (e.g. online item recommendation at global scale) involve the three aspects at the same time. Therefore, we propose a new learning setting \textit{Decentralized Personalized Online Federated Learning} that considers all the three aspects at the same time. In this new setting for learning, the first technical challenge is how to aggregate the shared model parameters from neighboring clients to obtain a personalized local model with good performance on each client. We propose to directly learn an aggregation by optimizing the performance of the local model with respect to the aggregation weights. This not only improves personalization of each local model but also helps the local model adapting to potential data shift by intelligently incorporating the right amount of information from its neighbors. The second challenge is how to select the neighbors for each client. We propose a peer selection method based on the learned aggregation weights enabling each client to select the most helpful neighbors and reduce communication cost at the same time. We verify the effectiveness and robustness of our proposed method on three real-world item recommendation datasets and one air quality prediction dataset.

Non-negative matrix factorization (NMF) is a dimensionality reduction technique that has shown promise for analyzing noisy data, especially astronomical data. For these datasets, the observed data may contain negative values due to noise even when the true underlying physical signal is strictly positive. Prior NMF work has not treated negative data in a statistically consistent manner, which becomes problematic for low signal-to-noise data with many negative values. In this paper we present two algorithms, Shift-NMF and Nearly-NMF, that can handle both the noisiness of the input data and also any introduced negativity. Both of these algorithms use the negative data space without clipping, and correctly recover non-negative signals without any introduced positive offset that occurs when clipping negative data. We demonstrate this numerically on both simple and more realistic examples, and prove that both algorithms have monotonically decreasing update rules.

We introduce Residue Hyperdimensional Computing, a computing framework that unifies residue number systems with an algebra defined over random, high-dimensional vectors. We show how residue numbers can be represented as high-dimensional vectors in a manner that allows algebraic operations to be performed with component-wise, parallelizable operations on the vector elements. The resulting framework, when combined with an efficient method for factorizing high-dimensional vectors, can represent and operate on numerical values over a large dynamic range using vastly fewer resources than previous methods, and it exhibits impressive robustness to noise. We demonstrate the potential for this framework to solve computationally difficult problems in visual perception and combinatorial optimization, showing improvement over baseline methods. More broadly, the framework provides a possible account for the computational operations of grid cells in the brain, and it suggests new machine learning architectures for representing and manipulating numerical data.

Advanced compiler technology is crucial for enabling machine learning applications to run on novel hardware, but traditional compilers fail to deliver performance, popular auto-tuners have long search times and expert-optimized libraries introduce unsustainable costs. To address this, we developed LoopTune, a deep reinforcement learning compiler that optimizes tensor computations in deep learning models for the CPU. LoopTune optimizes tensor traversal order while using the ultra-fast lightweight code generator LoopNest to perform hardware-specific optimizations. With a novel graph-based representation and action space, LoopTune speeds up LoopNest by 3.2x, generating an order of magnitude faster code than TVM, 2.8x faster than MetaSchedule, and 1.08x faster than AutoTVM, consistently performing at the level of the hand-tuned library Numpy. Moreover, LoopTune tunes code in order of seconds.

Chain-of-thought (CoT) is a method that enables language models to handle complex reasoning tasks by decomposing them into simpler steps. Despite its success, the underlying mechanics of CoT are not yet fully understood. In an attempt to shed light on this, our study investigates the impact of CoT on the ability of transformers to in-context learn a simple to study, yet general family of compositional functions: multi-layer perceptrons (MLPs). In this setting, we find that the success of CoT can be attributed to breaking down in-context learning of a compositional function into two distinct phases: focusing on and filtering data related to each step of the composition and in-context learning the single-step composition function. Through both experimental and theoretical evidence, we demonstrate how CoT significantly reduces the sample complexity of in-context learning (ICL) and facilitates the learning of complex functions that non-CoT methods struggle with. Furthermore, we illustrate how transformers can transition from vanilla in-context learning to mastering a compositional function with CoT by simply incorporating additional layers that perform the necessary data-filtering for CoT via the attention mechanism. In addition to these test-time benefits, we show CoT helps accelerate pretraining by learning shortcuts to represent complex functions and filtering plays an important role in this process. These findings collectively provide insights into the mechanics of CoT, inviting further investigation of its role in complex reasoning tasks.

We propose a self-correction mechanism for Large Language Models (LLMs) to mitigate issues such as toxicity and fact hallucination. This method involves refining model outputs through an ensemble of critics and the model's own feedback. Drawing inspiration from human behavior, we explore whether LLMs can emulate the self-correction process observed in humans who often engage in self-reflection and seek input from others to refine their understanding of complex topics. Our approach is model-agnostic and can be applied across various domains to enhance trustworthiness by addressing fairness, bias, and robustness concerns. We consistently observe performance improvements in LLMs for reducing toxicity and correcting factual errors.

Self-attention and position embedding are two key modules in Transformer based LLMs. The potential relationship among them are far from well studied, especially for context window extending. In this paper, we introduce collinear constrained relationship to fuse RoPE and self-attention, and name it as Collinear Constrained Attention (CoCA). We've analyzed the computational and spatial complexity of CoCA and have determined that it adds only minimal additional overhead compared to the original Transformer-based models. We provide an efficient implementation of CoCA, and make it drop-in replacement for any existing position embedding and attention modules in Transformer based models. Experiments show that CoCA performs extraordinary well on context window extending. For instance, a CoCA based GPT model trained with 512 context length can extend the context window up to 8K without perplexity diverging. This indicates more than 16x context window extending without any fine-tuning. Our code is released here: https://github.com/codefuse-ai/Collinear-Constrained-Attention

Sepsis and septic shock are a critical medical condition affecting millions globally, with a substantial mortality rate. This paper uses state-of-the-art deep learning (DL) architectures to introduce a multi-step forecasting system to predict vital signs indicative of septic shock progression in Intensive Care Units (ICUs). Our approach utilizes a short window of historical vital sign data to forecast future physiological conditions. We introduce a DL-based vital sign forecasting system that predicts up to 3 hours of future vital signs from 6 hours of past data. We further adopt the DILATE loss function to capture better the shape and temporal dynamics of vital signs, which are critical for clinical decision-making. We compare three DL models, N-BEATS, N-HiTS, and Temporal Fusion Transformer (TFT), using the publicly available eICU Collaborative Research Database (eICU-CRD), highlighting their forecasting capabilities in a critical care setting. We evaluate the performance of our models using mean squared error (MSE) and dynamic time warping (DTW) metrics. Our findings show that while TFT excels in capturing overall trends, N-HiTS is superior in retaining short-term fluctuations within a predefined range. This paper demonstrates the potential of deep learning in transforming the monitoring systems in ICUs, potentially leading to significant improvements in patient care and outcomes by accurately forecasting vital signs to assist healthcare providers in detecting early signs of physiological instability and anticipating septic shock.

We study the problem of robustly estimating the mean or location parameter without moment assumptions. We show that for a large class of symmetric distributions, the same error as in the Gaussian setting can be achieved efficiently. The distributions we study include products of arbitrary symmetric one-dimensional distributions, such as product Cauchy distributions, as well as elliptical distributions. For product distributions and elliptical distributions with known scatter (covariance) matrix, we show that given an $\varepsilon$-corrupted sample, we can with probability at least $1-\delta$ estimate its location up to error $O(\varepsilon \sqrt{\log(1/\varepsilon)})$ using $\tfrac{d\log(d) + \log(1/\delta)}{\varepsilon^2 \log(1/\varepsilon)}$ samples. This result matches the best-known guarantees for the Gaussian distribution and known SQ lower bounds (up to the $\log(d)$ factor). For elliptical distributions with unknown scatter (covariance) matrix, we propose a sequence of efficient algorithms that approaches this optimal error. Specifically, for every $k \in \mathbb{N}$, we design an estimator using time and samples $\tilde{O}({d^k})$ achieving error $O(\varepsilon^{1-\frac{1}{2k}})$. This matches the error and running time guarantees when assuming certifiably bounded moments of order up to $k$. For unknown covariance, such error bounds of $o(\sqrt{\varepsilon})$ are not even known for (general) sub-Gaussian distributions. Our algorithms are based on a generalization of the well-known filtering technique. We show how this machinery can be combined with Huber-loss-based techniques to work with projections of the noise that behave more nicely than the initial noise. Moreover, we show how SoS proofs can be used to obtain algorithmic guarantees even for distributions without a first moment. We believe that this approach may find other applications in future works.

Many interpretable AI approaches have been proposed to provide plausible explanations for a model's decision-making. However, configuring an explainable model that effectively communicates among computational modules has received less attention. A recently proposed shared global workspace theory showed that networks of distributed modules can benefit from sharing information with a bottlenecked memory because the communication constraints encourage specialization, compositionality, and synchronization among the modules. Inspired by this, we propose Concept-Centric Transformers, a simple yet effective configuration of the shared global workspace for interpretability, consisting of: i) an object-centric-based memory module for extracting semantic concepts from input features, ii) a cross-attention mechanism between the learned concept and input embeddings, and iii) standard classification and explanation losses to allow human analysts to directly assess an explanation for the model's classification reasoning. We test our approach against other existing concept-based methods on classification tasks for various datasets, including CIFAR100, CUB-200-2011, and ImageNet, and we show that our model achieves better classification accuracy than all baselines across all problems but also generates more consistent concept-based explanations of classification output.

Anomaly detection (AD) plays a crucial role in many safety-critical application domains. The challenge of adapting an anomaly detector to drift in the normal data distribution, especially when no training data is available for the "new normal," has led to the development of zero-shot AD techniques. In this paper, we propose a simple yet effective method called Adaptive Centered Representations (ACR) for zero-shot batch-level AD. Our approach trains off-the-shelf deep anomaly detectors (such as deep SVDD) to adapt to a set of inter-related training data distributions in combination with batch normalization, enabling automatic zero-shot generalization for unseen AD tasks. This simple recipe, batch normalization plus meta-training, is a highly effective and versatile tool. Our theoretical results guarantee the zero-shot generalization for unseen AD tasks; our empirical results demonstrate the first zero-shot AD results for tabular data and outperform existing methods in zero-shot anomaly detection and segmentation on image data from specialized domains. Code is at https://github.com/aodongli/zero-shot-ad-via-batch-norm

We present a novel observation about the behavior of offline reinforcement learning (RL) algorithms: on many benchmark datasets, offline RL can produce well-performing and safe policies even when trained with "wrong" reward labels, such as those that are zero everywhere or are negatives of the true rewards. This phenomenon cannot be easily explained by offline RL's return maximization objective. Moreover, it gives offline RL a degree of robustness that is uncharacteristic of its online RL counterparts, which are known to be sensitive to reward design. We demonstrate that this surprising robustness property is attributable to an interplay between the notion of pessimism in offline RL algorithms and certain implicit biases in common data collection practices. As we prove in this work, pessimism endows the agent with a "survival instinct", i.e., an incentive to stay within the data support in the long term, while the limited and biased data coverage further constrains the set of survival policies. Formally, given a reward class -- which may not even contain the true reward -- we identify conditions on the training data distribution that enable offline RL to learn a near-optimal and safe policy from any reward within the class. We argue that the survival instinct should be taken into account when interpreting results from existing offline RL benchmarks and when creating future ones. Our empirical and theoretical results suggest a new paradigm for RL, whereby an agent is nudged to learn a desirable behavior with imperfect reward but purposely biased data coverage.

In this article, we propose an approach for federated domain adaptation, a setting where distributional shift exists among clients and some have unlabeled data. The proposed framework, FedDaDiL, tackles the resulting challenge through dictionary learning of empirical distributions. In our setting, clients' distributions represent particular domains, and FedDaDiL collectively trains a federated dictionary of empirical distributions. In particular, we build upon the Dataset Dictionary Learning framework by designing collaborative communication protocols and aggregation operations. The chosen protocols keep clients' data private, thus enhancing overall privacy compared to its centralized counterpart. We empirically demonstrate that our approach successfully generates labeled data on the target domain with extensive experiments on (i) Caltech-Office, (ii) TEP, and (iii) CWRU benchmarks. Furthermore, we compare our method to its centralized counterpart and other benchmarks in federated domain adaptation.

Learning from the collective knowledge of data dispersed across private sources can provide neural networks with enhanced generalization capabilities. Federated learning, a method for collaboratively training a machine learning model across remote clients, achieves this by combining client models via the orchestration of a central server. However, current approaches face two critical limitations: i) they struggle to converge when client domains are sufficiently different, and ii) current aggregation techniques produce an identical global model for each client. In this work, we address these issues by reformulating the typical federated learning setup: rather than learning a single global model, we learn N models each optimized for a common objective. To achieve this, we apply a weighted distance minimization to model parameters shared in a peer-to-peer topology. The resulting framework, Iterative Parameter Alignment, applies naturally to the cross-silo setting, and has the following properties: (i) a unique solution for each participant, with the option to globally converge each model in the federation, and (ii) an optional early-stopping mechanism to elicit fairness among peers in collaborative learning settings. These characteristics jointly provide a flexible new framework for iteratively learning from peer models trained on disparate datasets. We find that the technique achieves competitive results on a variety of data partitions compared to state-of-the-art approaches. Further, we show that the method is robust to divergent domains (i.e. disjoint classes across peers) where existing approaches struggle.

Significant progress in the development of highly adaptable and reusable Artificial Intelligence (AI) models is expected to have a significant impact on Earth science and remote sensing. Foundation models are pre-trained on large unlabeled datasets through self-supervision, and then fine-tuned for various downstream tasks with small labeled datasets. This paper introduces a first-of-a-kind framework for the efficient pre-training and fine-tuning of foundational models on extensive geospatial data. We have utilized this framework to create Prithvi, a transformer-based geospatial foundational model pre-trained on more than 1TB of multispectral satellite imagery from the Harmonized Landsat-Sentinel 2 (HLS) dataset. Our study demonstrates the efficacy of our framework in successfully fine-tuning Prithvi to a range of Earth observation tasks that have not been tackled by previous work on foundation models involving multi-temporal cloud gap imputation, flood mapping, wildfire scar segmentation, and multi-temporal crop segmentation. Our experiments show that the pre-trained model accelerates the fine-tuning process compared to leveraging randomly initialized weights. In addition, pre-trained Prithvi compares well against the state-of-the-art, e.g., outperforming a conditional GAN model in multi-temporal cloud imputation by up to 5pp (or 5.7%) in the structural similarity index. Finally, due to the limited availability of labeled data in the field of Earth observation, we gradually reduce the quantity of available labeled data for refining the model to evaluate data efficiency and demonstrate that data can be decreased significantly without affecting the model's accuracy. The pre-trained 100 million parameter model and corresponding fine-tuning workflows have been released publicly as open source contributions to the global Earth sciences community through Hugging Face.

We present ToddlerBERTa, a BabyBERTa-like language model, exploring its capabilities through five different models with varied hyperparameters. Evaluating on BLiMP, SuperGLUE, MSGS, and a Supplement benchmark from the BabyLM challenge, we find that smaller models can excel in specific tasks, while larger models perform well with substantial data. Despite training on a smaller dataset, ToddlerBERTa demonstrates commendable performance, rivalling the state-of-the-art RoBERTa-base. The model showcases robust language understanding, even with single-sentence pretraining, and competes with baselines that leverage broader contextual information. Our work provides insights into hyperparameter choices, and data utilization, contributing to the advancement of language models.

Causal representation learning algorithms discover lower-dimensional representations of data that admit a decipherable interpretation of cause and effect; as achieving such interpretable representations is challenging, many causal learning algorithms utilize elements indicating prior information, such as (linear) structural causal models, interventional data, or weak supervision. Unfortunately, in exploratory causal representation learning, such elements and prior information may not be available or warranted. Alternatively, scientific datasets often have multiple modalities or physics-based constraints, and the use of such scientific, multimodal data has been shown to improve disentanglement in fully unsupervised settings. Consequently, we introduce a causal representation learning algorithm (causalPIMA) that can use multimodal data and known physics to discover important features with causal relationships. Our innovative algorithm utilizes a new differentiable parametrization to learn a directed acyclic graph (DAG) together with a latent space of a variational autoencoder in an end-to-end differentiable framework via a single, tractable evidence lower bound loss function. We place a Gaussian mixture prior on the latent space and identify each of the mixtures with an outcome of the DAG nodes; this novel identification enables feature discovery with causal relationships. Tested against a synthetic and a scientific dataset, our results demonstrate the capability of learning an interpretable causal structure while simultaneously discovering key features in a fully unsupervised setting.

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there were finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, many real-world data are not naturally posed in the setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions, and then convert the GPs into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is further developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications.

Recent advances in reinforcement learning, for partially-observable Markov decision processes (POMDPs), rely on the biologically implausible backpropagation through time algorithm (BPTT) to perform gradient-descent optimisation. In this paper we propose a novel reinforcement learning algorithm that makes use of random feedback local online learning (RFLO), a biologically plausible approximation of realtime recurrent learning (RTRL) to compute the gradients of the parameters of a recurrent neural network in an online manner. By combining it with TD($\lambda$), a variant of temporaldifference reinforcement learning with eligibility traces, we create a biologically plausible, recurrent actor-critic algorithm, capable of solving discrete and continuous control tasks in POMDPs. We compare BPTT, RTRL and RFLO as well as different network architectures, and find that RFLO can perform just as well as RTRL while exceeding even BPTT in terms of complexity. The proposed method, called real-time recurrent reinforcement learning (RTRRL), serves as a model of learning in biological neural networks mimicking reward pathways in the mammalian brain.

Quality control (QC) has long been considered essential to guarantee the reliability of neuroimaging studies. It is particularly important for fetal brain MRI, where large and unpredictable fetal motion can lead to substantial artifacts in the acquired images. Existing methods for fetal brain quality assessment operate at the \textit{slice} level, and fail to get a comprehensive picture of the quality of an image, that can only be achieved by looking at the \textit{entire} brain volume. In this work, we propose FetMRQC, a machine learning framework for automated image quality assessment tailored to fetal brain MRI, which extracts an ensemble of quality metrics that are then used to predict experts' ratings. Based on the manual ratings of more than 1000 low-resolution stacks acquired across two different institutions, we show that, compared with existing quality metrics, FetMRQC is able to generalize out-of-domain, while being interpretable and data efficient. We also release a novel manual quality rating tool designed to facilitate and optimize quality rating of fetal brain images. Our tool, along with all the code to generate, train and evaluate the model is available at https://github.com/Medical-Image-Analysis-Laboratory/fetal_brain_qc/ .

State-of-the-art deep learning models for tabular data have recently achieved acceptable performance to be deployed in industrial settings. However, the robustness of these models remains scarcely explored. Contrary to computer vision, there is to date no realistic protocol to properly evaluate the adversarial robustness of deep tabular models due to intrinsic properties of tabular data such as categorical features, immutability, and feature relationship constraints. To fill this gap, we propose CAA, the first efficient evasion attack for constrained tabular deep learning models. CAA is an iterative parameter-free attack that combines gradient and search attacks to generate adversarial examples under constraints. We leverage CAA to build a benchmark of deep tabular models across three popular use cases: credit scoring, phishing and botnet attacks detection. Our benchmark supports ten threat models with increasing capabilities of the attacker, and reflects real-world attack scenarios for each use case. Overall, our results demonstrate how domain knowledge, adversarial training, and attack budgets impact the robustness assessment of deep tabular models and provide security practitioners with a set of recommendations to improve the robustness of deep tabular models against various evasion attack scenarios.

Designing and analyzing model-based RL (MBRL) algorithms with guaranteed monotonic improvement has been challenging, mainly due to the interdependence between policy optimization and model learning. Existing discrepancy bounds generally ignore the impacts of model shifts, and their corresponding algorithms are prone to degrade performance by drastic model updating. In this work, we first propose a novel and general theoretical scheme for a non-decreasing performance guarantee of MBRL. Our follow-up derived bounds reveal the relationship between model shifts and performance improvement. These discoveries encourage us to formulate a constrained lower-bound optimization problem to permit the monotonicity of MBRL. A further example demonstrates that learning models from a dynamically-varying number of explorations benefit the eventual returns. Motivated by these analyses, we design a simple but effective algorithm CMLO (Constrained Model-shift Lower-bound Optimization), by introducing an event-triggered mechanism that flexibly determines when to update the model. Experiments show that CMLO surpasses other state-of-the-art methods and produces a boost when various policy optimization methods are employed.

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant network, named QHNet, that achieves efficiency and equivariance. Our key advance lies at the innovative design of QHNet architecture, which not only obeys the underlying symmetries, but also enables the reduction of number of tensor products by 92\%. In addition, QHNet prevents the exponential growth of channel dimension when more atom types are involved. We perform experiments on MD17 datasets, including four molecular systems. Experimental results show that our QHNet can achieve comparable performance to the state of the art methods at a significantly faster speed. Besides, our QHNet consumes 50\% less memory due to its streamlined architecture. Our code is publicly available as part of the AIRS library (\url{https://github.com/divelab/AIRS}).

During the operation of industrial robots, unusual events may endanger the safety of humans and the quality of production. When collecting data to detect such cases, it is not ensured that data from all potentially occurring errors is included as unforeseeable events may happen over time. Therefore, anomaly detection (AD) delivers a practical solution, using only normal data to learn to detect unusual events. We introduce a dataset that allows training and benchmarking of anomaly detection methods for robotic applications based on machine data which will be made publicly available to the research community. As a typical robot task the dataset includes a pick-and-place application which involves movement, actions of the end effector and interactions with the objects of the environment. Since several of the contained anomalies are not task-specific but general, evaluations on our dataset are transferable to other robotics applications as well. Additionally, we present MVT-Flow (multivariate time-series flow) as a new baseline method for anomaly detection: It relies on deep-learning-based density estimation with normalizing flows, tailored to the data domain by taking its structure into account for the architecture. Our evaluation shows that MVT-Flow outperforms baselines from previous work by a large margin of 6.2% in area under ROC.

Abstract semantic 3D scene understanding is a problem of critical importance in robotics. As robots still lack the common-sense knowledge about household objects and locations of an average human, we investigate the use of pre-trained language models to impart common sense for scene understanding. We introduce and compare a wide range of scene classification paradigms that leverage language only (zero-shot, embedding-based, and structured-language) or vision and language (zero-shot and fine-tuned). We find that the best approaches in both categories yield $\sim 70\%$ room classification accuracy, exceeding the performance of pure-vision and graph classifiers. We also find such methods demonstrate notable generalization and transfer capabilities stemming from their use of language.

The widespread adoption of commercial autonomous vehicles (AVs) and advanced driver assistance systems (ADAS) may largely depend on their acceptance by society, for which their perceived trustworthiness and interpretability to riders are crucial. In general, this task is challenging because modern autonomous systems software relies heavily on black-box artificial intelligence models. Towards this goal, this paper introduces a novel dataset, Rank2Tell, a multi-modal ego-centric dataset for Ranking the importance level and Telling the reason for the importance. Using various close and open-ended visual question answering, the dataset provides dense annotations of various semantic, spatial, temporal, and relational attributes of various important objects in complex traffic scenarios. The dense annotations and unique attributes of the dataset make it a valuable resource for researchers working on visual scene understanding and related fields. Furthermore, we introduce a joint model for joint importance level ranking and natural language captions generation to benchmark our dataset and demonstrate performance with quantitative evaluations.

The Laplace's method approximates a target density with a Gaussian distribution at its mode. It is computationally efficient and asymptotically exact for Bayesian inference due to the Bernstein-von Mises theorem, but for complex targets and finite-data posteriors it is often too crude an approximation. A recent generalization of the Laplace Approximation transforms the Gaussian approximation according to a chosen Riemannian geometry providing a richer approximation family, while still retaining computational efficiency. However, as shown here, its properties heavily depend on the chosen metric, indeed the metric adopted in previous work results in approximations that are overly narrow as well as being biased even at the limit of infinite data. We correct this shortcoming by developing the approximation family further, deriving two alternative variants that are exact at the limit of infinite data, extending the theoretical analysis of the method, and demonstrating practical improvements in a range of experiments.

As a classical generative modeling approach, energy-based models have the natural advantage of flexibility in the form of the energy function. Recently, energy-based models have achieved great success in modeling high-dimensional data in computer vision and natural language processing. In line with these advancements, we build a multi-purpose energy-based probabilistic model for High Energy Physics events at the Large Hadron Collider. This framework builds on a powerful generative model and describes higher-order inter-particle interactions. It suits different encoding architectures and builds on implicit generation. As for applicational aspects, it can serve as a powerful parameterized event generator for physics simulation, a generic anomalous signal detector free from spurious correlations, and an augmented event classifier for particle identification.

This paper seeks to solve Multi-Source Domain Adaptation (MSDA), which aims to mitigate data distribution shifts when transferring knowledge from multiple labeled source domains to an unlabeled target domain. We propose a novel MSDA framework based on dictionary learning and optimal transport. We interpret each domain in MSDA as an empirical distribution. As such, we express each domain as a Wasserstein barycenter of dictionary atoms, which are empirical distributions. We propose a novel algorithm, DaDiL, for learning via mini-batches: (i) atom distributions; (ii) a matrix of barycentric coordinates. Based on our dictionary, we propose two novel methods for MSDA: DaDil-R, based on the reconstruction of labeled samples in the target domain, and DaDiL-E, based on the ensembling of classifiers learned on atom distributions. We evaluate our methods in 3 benchmarks: Caltech-Office, Office 31, and CRWU, where we improved previous state-of-the-art by 3.15%, 2.29%, and 7.71% in classification performance. Finally, we show that interpolations in the Wasserstein hull of learned atoms provide data that can generalize to the target domain.

The relentless advancement of artificial intelligence (AI) and machine learning (ML) applications necessitates the development of specialized hardware accelerators capable of handling the increasing complexity and computational demands. Traditional computing architectures, based on the von Neumann model, are being outstripped by the requirements of contemporary AI/ML algorithms, leading to a surge in the creation of accelerators like the Graphcore Intelligence Processing Unit (IPU), Sambanova Reconfigurable Dataflow Unit (RDU), and enhanced GPU platforms. These hardware accelerators are characterized by their innovative data-flow architectures and other design optimizations that promise to deliver superior performance and energy efficiency for AI/ML tasks. This research provides a preliminary evaluation and comparison of these commercial AI/ML accelerators, delving into their hardware and software design features to discern their strengths and unique capabilities. By conducting a series of benchmark evaluations on common DNN operators and other AI/ML workloads, we aim to illuminate the advantages of data-flow architectures over conventional processor designs and offer insights into the performance trade-offs of each platform. The findings from our study will serve as a valuable reference for the design and performance expectations of research prototypes, thereby facilitating the development of next-generation hardware accelerators tailored for the ever-evolving landscape of AI/ML applications. Through this analysis, we aspire to contribute to the broader understanding of current accelerator technologies and to provide guidance for future innovations in the field.

Online learning to rank (ONL2R) is a foundational problem for recommender systems and has received increasing attention in recent years. Among the existing approaches for ONL2R, a natural modeling architecture is the multi-armed bandit framework coupled with the position-based click model. However, developing efficient online learning policies for MAB-based ONL2R with position-based click models is highly challenging due to the combinatorial nature of the problem, and partial observability in the position-based click model. To date, results in MAB-based ONL2R with position-based click models remain rather limited, which motivates us to fill this gap in this work. Our main contributions in this work are threefold: i) We propose the first general MAB framework that captures all key ingredients of ONL2R with position-based click models. Our model considers personalized and equal treatments in ONL2R ranking recommendations, both of which are widely used in practice; ii) Based on the above analytical framework, we develop two unified greed- and UCB-based policies called GreedyRank and UCBRank, each of which can be applied to personalized and equal ranking treatments; and iii) We show that both GreedyRank and UCBRank enjoy $O(\sqrt{t}\ln t)$ and $O(\sqrt{t\ln t})$ anytime sublinear regret for personalized and equal treatment, respectively. For the fundamentally hard equal ranking treatment, we identify classes of collective utility functions and their associated sufficient conditions under which $O(\sqrt{t}\ln t)$ and $O(\sqrt{t\ln t})$ anytime sublinear regrets are still achievable for GreedyRank and UCBRank, respectively. Our numerical experiments also verify our theoretical results and demonstrate the efficiency of GreedyRank and UCBRank in seeking the optimal action under various problem settings.

We introduce LuminanceL1Loss, a novel loss function designed to enhance the performance of image restoration tasks. We demonstrate its superiority over MSE when applied to the Retinexformer, BUIFD and DnCNN architectures. Our proposed LuminanceL1Loss leverages a unique approach by transforming images into grayscale and subsequently computing the MSE loss for both grayscale and color channels. Experimental results demonstrate that this innovative loss function consistently outperforms traditional methods, showcasing its potential in image denoising and other related tasks in image reconstruction. It demonstrates gains up to 4.7dB. The results presented in this study highlight the efficacy of LuminanceL1Loss for various image restoration tasks.

This paper considers a class of reinforcement learning problems, which involve systems with two types of states: stochastic and pseudo-stochastic. In such systems, stochastic states follow a stochastic transition kernel while the transitions of pseudo-stochastic states are deterministic given the stochastic states/transitions. We refer to such systems as mixed systems, which are widely used in various applications, including manufacturing systems, communication networks, and queueing networks. We propose a sample efficient RL method that accelerates learning by generating augmented data samples. The proposed algorithm is data-driven and learns the policy from data samples from both real and augmented samples. This method significantly improves learning by reducing the sample complexity such that the dataset only needs to have sufficient coverage of the stochastic states. We analyze the sample complexity of the proposed method under Fitted Q Iteration (FQI) and demonstrate that the optimality gap decreases as $\tilde{\mathcal{O}}(\sqrt{{1}/{n}}+\sqrt{{1}/{m}}),$ where $n$ is the number of real samples and $m$ is the number of augmented samples per real sample. It is important to note that without augmented samples, the optimality gap is $\tilde{\mathcal{O}}(1)$ due to insufficient data coverage of the pseudo-stochastic states. Our experimental results on multiple queueing network applications confirm that the proposed method indeed significantly accelerates learning in both deep Q-learning and deep policy gradient.

In this work, we investigate federated edge learning over a fading multiple access channel. To alleviate the communication burden between the edge devices and the access point, we introduce a pioneering digital over-the-air computation strategy employing q-ary quadrature amplitude modulation, culminating in a low latency communication scheme. Indeed, we propose a new federated edge learning framework in which edge devices use digital modulation for over-the-air uplink transmission to the edge server while they have no access to the channel state information. Furthermore, we incorporate multiple antennas at the edge server to overcome the fading inherent in wireless communication. We analyze the number of antennas required to mitigate the fading impact effectively. We prove a non-asymptotic upper bound for the mean squared error for the proposed federated learning with digital over-the-air uplink transmissions under both noisy and fading conditions. Leveraging the derived upper bound, we characterize the convergence rate of the learning process of a non-convex loss function in terms of the mean square error of gradients due to the fading channel. Furthermore, we substantiate the theoretical assurances through numerical experiments concerning mean square error and the convergence efficacy of the digital federated edge learning framework. Notably, the results demonstrate that augmenting the number of antennas at the edge server and adopting higher-order modulations improve the model accuracy up to 60\%.

In multi-agent systems, agents possess only local observations of the environment. Communication between teammates becomes crucial for enhancing coordination. Past research has primarily focused on encoding local information into embedding messages which are unintelligible to humans. We find that using these messages in agent's policy learning leads to brittle policies when tested on out-of-distribution initial states. We present an approach to multi-agent coordination, where each agent is equipped with the capability to integrate its (history of) observations, actions and messages received into a Common Operating Picture (COP) and disseminate the COP. This process takes into account the dynamic nature of the environment and the shared mission. We conducted experiments in the StarCraft2 environment to validate our approach. Our results demonstrate the efficacy of COP integration, and show that COP-based training leads to robust policies compared to state-of-the-art Multi-Agent Reinforcement Learning (MARL) methods when faced with out-of-distribution initial states.

Question Answering (QA) systems on patient-related data can assist both clinicians and patients. They can, for example, assist clinicians in decision-making and enable patients to have a better understanding of their medical history. Significant amounts of patient data are stored in Electronic Health Records (EHRs), making EHR QA an important research area. In EHR QA, the answer is obtained from the medical record of the patient. Because of the differences in data format and modality, this differs greatly from other medical QA tasks that employ medical websites or scientific papers to retrieve answers, making it critical to research EHR question answering. This study aimed to provide a methodological review of existing works on QA over EHRs. We searched for articles from January 1st, 2005 to September 30th, 2023 in four digital sources including Google Scholar, ACL Anthology, ACM Digital Library, and PubMed to collect relevant publications on EHR QA. 4111 papers were identified for our study, and after screening based on our inclusion criteria, we obtained a total of 47 papers for further study. Out of the 47 papers, 25 papers were about EHR QA datasets, and 37 papers were about EHR QA models. It was observed that QA on EHRs is relatively new and unexplored. Most of the works are fairly recent. Also, it was observed that emrQA is by far the most popular EHR QA dataset, both in terms of citations and usage in other papers. Furthermore, we identified the different models used in EHR QA along with the evaluation metrics used for these models.

In the modern era, malware is experiencing a significant increase in both its variety and quantity, aligning with the widespread adoption of the digital world. This surge in malware has emerged as a critical challenge in the realm of cybersecurity, prompting numerous research endeavors and contributions to address the issue. Machine learning algorithms have been leveraged for malware detection due to their ability to uncover concealed patterns within vast datasets. However, deep learning algorithms, characterized by their multi-layered structure, surpass the limitations of traditional machine learning approaches. By employing deep learning techniques such as CNN (Convolutional Neural Network) and RNN (Recurrent Neural Network), this study aims to classify and identify malware extracted from a dataset containing API call sequences. The performance of these algorithms is compared with that of conventional machine learning methods, including SVM (Support Vector Machine), RF (Random Forest), KNN (K-Nearest Neighbors), XGB (Extreme Gradient Boosting), and GBC (Gradient Boosting Classifier), all using the same dataset. The outcomes of this research demonstrate that both deep learning and machine learning algorithms achieve remarkably high levels of accuracy, reaching up to 99% in certain cases.

Factorization Machine (FM) is the most commonly used model to build a recommendation system since it can incorporate side information to improve performance. However, producing item suggestions for a given user with a trained FM is time-consuming. It requires a run-time of $O((N_m \log N_m)^2)$, where $N_m$ is the number of items in the dataset. To address this problem, we propose a quadratic unconstrained binary optimization (QUBO) scheme to combine with FM and apply quantum annealing (QA) computation. Compared to classical methods, this hybrid algorithm provides a faster than quadratic speedup in finding good user suggestions. We then demonstrate the aforementioned computational advantage on current NISQ hardware by experimenting with a real example on a D-Wave annealer.

In this paper we offer a new perspective on the well established agglomerative clustering algorithm, focusing on recovery of hierarchical structure. We recommend a simple variant of the standard algorithm, in which clusters are merged by maximum average dot product and not, for example, by minimum distance or within-cluster variance. We demonstrate that the tree output by this algorithm provides a bona fide estimate of generative hierarchical structure in data, under a generic probabilistic graphical model. The key technical innovations are to understand how hierarchical information in this model translates into tree geometry which can be recovered from data, and to characterise the benefits of simultaneously growing sample size and data dimension. We demonstrate superior tree recovery performance with real data over existing approaches such as UPGMA, Ward's method, and HDBSCAN.

Despite the development of effective deepfake detectors in recent years, recent studies have demonstrated that biases in the data used to train these detectors can lead to disparities in detection accuracy across different races and genders. This can result in different groups being unfairly targeted or excluded from detection, allowing undetected deepfakes to manipulate public opinion and erode trust in a deepfake detection model. While existing studies have focused on evaluating fairness of deepfake detectors, to the best of our knowledge, no method has been developed to encourage fairness in deepfake detection at the algorithm level. In this work, we make the first attempt to improve deepfake detection fairness by proposing novel loss functions that handle both the setting where demographic information (eg, annotations of race and gender) is available as well as the case where this information is absent. Fundamentally, both approaches can be used to convert many existing deepfake detectors into ones that encourages fairness. Extensive experiments on four deepfake datasets and five deepfake detectors demonstrate the effectiveness and flexibility of our approach in improving deepfake detection fairness. Our code is available at https://github.com/littlejuyan/DF_Fairness.

In human societies, people often incorporate fairness in their decisions and treat reciprocally by being kind to those who act kindly. They evaluate the kindness of others' actions not only by monitoring the outcomes but also by considering the intentions. This behavioral concept can be adapted to train cooperative agents in Multi-Agent Reinforcement Learning (MARL). We propose the KindMARL method, where agents' intentions are measured by counterfactual reasoning over the environmental impact of the actions that were available to the agents. More specifically, the current environment state is compared with the estimation of the current environment state provided that the agent had chosen another action. The difference between each agent's reward, as the outcome of its action, with that of its fellow, multiplied by the intention of the fellow is then taken as the fellow's "kindness". If the result of each reward-comparison confirms the agent's superiority, it perceives the fellow's kindness and reduces its own reward. Experimental results in the Cleanup and Harvest environments show that training based on the KindMARL method enabled the agents to earn 89\% (resp. 37\%) and 44% (resp. 43\%) more total rewards than training based on the Inequity Aversion and Social Influence methods. The effectiveness of KindMARL is further supported by experiments in a traffic light control problem.

Building efficient, accurate and generalizable reduced order models of developed turbulence remains a major challenge. This manuscript approaches this problem by developing a hierarchy of parameterized reduced Lagrangian models for turbulent flows, and investigates the effects of enforcing physical structure through Smoothed Particle Hydrodynamics (SPH) versus relying on neural networks (NN)s as universal function approximators. Starting from Neural Network (NN) parameterizations of a Lagrangian acceleration operator, this hierarchy of models gradually incorporates a weakly compressible and parameterized SPH framework, which enforces physical symmetries, such as Galilean, rotational and translational invariances. Within this hierarchy, two new parameterized smoothing kernels are developed in order to increase the flexibility of the learn-able SPH simulators. For each model we experiment with different loss functions which are minimized using gradient based optimization, where efficient computations of gradients are obtained by using Automatic Differentiation (AD) and Sensitivity Analysis (SA). Each model within the hierarchy is trained on two data sets associated with weekly compressible Homogeneous Isotropic Turbulence (HIT): (1) a validation set using weakly compressible SPH; and (2) a high fidelity set from Direct Numerical Simulations (DNS). Numerical evidence shows that encoding more SPH structure improves generalizability to different turbulent Mach numbers and time shifts, and that including the novel parameterized smoothing kernels improves the accuracy of SPH at the resolved scales.

The task of community detection, which aims to partition a network into clusters of nodes to summarize its large-scale structure, has spawned the development of many competing algorithms with varying objectives. Some community detection methods are inferential, explicitly deriving the clustering objective through a probabilistic generative model, while other methods are descriptive, dividing a network according to an objective motivated by a particular application, making it challenging to compare these methods on the same scale. Here we present a solution to this problem that associates any community detection objective, inferential or descriptive, with its corresponding implicit network generative model. This allows us to compute the description length of a network and its partition under arbitrary objectives, providing a principled measure to compare the performance of different algorithms without the need for "ground truth" labels. Our approach also gives access to instances of the community detection problem that are optimal to any given algorithm, and in this way reveals intrinsic biases in popular descriptive methods, explaining their tendency to overfit. Using our framework, we compare a number of community detection methods on artificial networks, and on a corpus of over 500 structurally diverse empirical networks. We find that more expressive community detection methods exhibit consistently superior compression performance on structured data instances, without having degraded performance on a minority of situations where more specialized algorithms perform optimally. Our results undermine the implications of the "no free lunch" theorem for community detection, both conceptually and in practice, since it is confined to unstructured data instances, unlike relevant community detection problems which are structured by requirement.

Deepfakes refer to content synthesized using deep generators, which, when misused, have the potential to erode trust in digital media. Synthesizing high-quality deepfakes requires access to large and complex generators only a few entities can train and provide. The threat is malicious users that exploit access to the provided model and generate harmful deepfakes without risking detection. Watermarking makes deepfakes detectable by embedding an identifiable code into the generator that is later extractable from its generated images. We propose Pivotal Tuning Watermarking (PTW), a method for watermarking pre-trained generators (i) three orders of magnitude faster than watermarking from scratch and (ii) without the need for any training data. We improve existing watermarking methods and scale to generators $4 \times$ larger than related work. PTW can embed longer codes than existing methods while better preserving the generator's image quality. We propose rigorous, game-based definitions for robustness and undetectability, and our study reveals that watermarking is not robust against an adaptive white-box attacker who controls the generator's parameters. We propose an adaptive attack that can successfully remove any watermarking with access to only 200 non-watermarked images. Our work challenges the trustworthiness of watermarking for deepfake detection when the parameters of a generator are available. The source code to reproduce our experiments is available at https://github.com/nilslukas/gan-watermark.

In settings such as e-recruitment and online dating, recommendation involves distributing limited opportunities, calling for novel approaches to quantify and enforce fairness. We introduce \emph{inferiority}, a novel (un)fairness measure quantifying a user's competitive disadvantage for their recommended items. Inferiority complements \emph{envy}, a fairness notion measuring preference for others' recommendations. We combine inferiority and envy with \emph{utility}, an accuracy-related measure of aggregated relevancy scores. Since these measures are non-differentiable, we reformulate them using a probabilistic interpretation of recommender systems, yielding differentiable versions. We combine these loss functions in a multi-objective optimization problem called \texttt{FEIR} (Fairness through Envy and Inferiority Reduction), applied as post-processing for standard recommender systems. Experiments on synthetic and real-world data demonstrate that our approach improves trade-offs between inferiority, envy, and utility compared to naive recommendations and the baseline methods.

Construction of a universal detector poses a crucial question: How can we most effectively train a model on a large mixture of datasets? The answer lies in learning dataset-specific features and ensembling their knowledge but do all this in a single model. Previous methods achieve this by having separate detection heads on a common backbone but that results in a significant increase in parameters. In this work, we present Mixture-of-Experts as a solution, highlighting that MoEs are much more than a scalability tool. We propose Dataset-Aware Mixture-of-Experts, DAMEX where we train the experts to become an `expert' of a dataset by learning to route each dataset tokens to its mapped expert. Experiments on Universal Object-Detection Benchmark show that we outperform the existing state-of-the-art by average +10.2 AP score and improve over our non-MoE baseline by average +2.0 AP score. We also observe consistent gains while mixing datasets with (1) limited availability, (2) disparate domains and (3) divergent label sets. Further, we qualitatively show that DAMEX is robust against expert representation collapse.

The acoustic variability of noisy and reverberant speech mixtures is influenced by multiple factors, such as the spectro-temporal characteristics of the target speaker and the interfering noise, the signal-to-noise ratio (SNR) and the room characteristics. This large variability poses a major challenge for learning-based speech enhancement systems, since a mismatch between the training and testing conditions can substantially reduce the performance of the system. Generalization to unseen conditions is typically assessed by testing the system with a new speech, noise or binaural room impulse response (BRIR) database different from the one used during training. However, the difficulty of the speech enhancement task can change across databases, which can substantially influence the results. The present study introduces a generalization assessment framework that uses a reference model trained on the test condition, such that it can be used as a proxy for the difficulty of the test condition. This allows to disentangle the effect of the change in task difficulty from the effect of dealing with new data, and thus to define a new measure of generalization performance termed the generalization gap. The procedure is repeated in a cross-validation fashion by cycling through multiple speech, noise, and BRIR databases to accurately estimate the generalization gap. The proposed framework is applied to evaluate the generalization potential of a feedforward neural network (FFNN), Conv-TasNet, DCCRN and MANNER. We find that for all models, the performance degrades the most in speech mismatches, while good noise and room generalization can be achieved by training on multiple databases. Moreover, while recent models show higher performance in matched conditions, their performance substantially decreases in mismatched conditions and can become inferior to that of the FFNN-based system.

Robustness to Byzantine attacks is a necessity for various distributed training scenarios. When the training reduces to the process of solving a minimization problem, Byzantine robustness is relatively well-understood. However, other problem formulations, such as min-max problems or, more generally, variational inequalities, arise in many modern machine learning and, in particular, distributed learning tasks. These problems significantly differ from the standard minimization ones and, therefore, require separate consideration. Nevertheless, only one work (Adibi et al., 2022) addresses this important question in the context of Byzantine robustness. Our work makes a further step in this direction by providing several (provably) Byzantine-robust methods for distributed variational inequality, thoroughly studying their theoretical convergence, removing the limitations of the previous work, and providing numerical comparisons supporting the theoretical findings.

Positive and Unlabeled (PU) learning is a type of semi-supervised binary classification where the machine learning algorithm differentiates between a set of positive instances (labeled) and a set of both positive and negative instances (unlabeled). PU learning has broad applications in settings where confirmed negatives are unavailable or difficult to obtain, and there is value in discovering positives among the unlabeled (e.g., viable drugs among untested compounds). Most PU learning algorithms make the selected completely at random (SCAR) assumption, namely that positives are selected independently of their features. However, in many real-world applications, such as healthcare, positives are not SCAR (e.g., severe cases are more likely to be diagnosed), leading to a poor estimate of the proportion, $\alpha$, of positives among unlabeled examples and poor model calibration, resulting in an uncertain decision threshold for selecting positives. PU learning algorithms can estimate $\alpha$ or the probability of an individual unlabeled instance being positive or both. We propose two PU learning algorithms to estimate $\alpha$, calculate calibrated probabilities for PU instances, and improve classification metrics: i) PULSCAR (positive unlabeled learning selected completely at random), and ii) PULSNAR (positive unlabeled learning selected not at random). PULSNAR uses a divide-and-conquer approach that creates and solves several SCAR-like sub-problems using PULSCAR. In our experiments, PULSNAR outperformed state-of-the-art approaches on both synthetic and real-world benchmark datasets.

In recent years, there has been a rapid development of spatio-temporal prediction techniques in response to the increasing demands of traffic management and travel planning. While advanced end-to-end models have achieved notable success in improving predictive performance, their integration and expansion pose significant challenges. This work aims to address these challenges by introducing a spatio-temporal pre-training framework that seamlessly integrates with downstream baselines and enhances their performance. The framework is built upon two key designs: (i) We propose a spatio-temporal mask autoencoder as a pre-training model for learning spatio-temporal dependencies. The model incorporates customized parameter learners and hierarchical spatial pattern encoding networks. These modules are specifically designed to capture spatio-temporal customized representations and intra- and inter-cluster region semantic relationships, which have often been neglected in existing approaches. (ii) We introduce an adaptive mask strategy as part of the pre-training mechanism. This strategy guides the mask autoencoder in learning robust spatio-temporal representations and facilitates the modeling of different relationships, ranging from intra-cluster to inter-cluster, in an easy-to-hard training manner. Extensive experiments conducted on representative benchmarks demonstrate the effectiveness of our proposed method. We have made our model implementation publicly available at https://github.com/HKUDS/GPT-ST.

Recent advances in Transformer architectures have empowered their empirical success in a variety of tasks across different domains. However, existing works mainly focus on predictive accuracy and computational cost, without considering other practical issues, such as robustness to contaminated samples. Recent work by Nguyen et al., (2022) has shown that the self-attention mechanism, which is the center of the Transformer architecture, can be viewed as a non-parametric estimator based on kernel density estimation (KDE). This motivates us to leverage a set of robust kernel density estimation methods for alleviating the issue of data contamination. Specifically, we introduce a series of self-attention mechanisms that can be incorporated into different Transformer architectures and discuss the special properties of each method. We then perform extensive empirical studies on language modeling and image classification tasks. Our methods demonstrate robust performance in multiple scenarios while maintaining competitive results on clean datasets.

To promote cooperation and strengthen the individual impact on the collective outcome in social dilemmas, we propose the Environmental-impact Multi-Agent Reinforcement Learning (EMuReL) method where each agent estimates the "environmental impact" of every other agent, that is, the difference in the current environment state compared to the hypothetical environment in the absence of that other agent. Inspired by the Inequity Aversion model, the agent then compares its own reward with those of its fellows multiplied by their environmental impacts. If its reward exceeds the scaled reward of one of its fellows, the agent takes "social responsibility" toward that fellow by reducing its own reward. Therefore, the less influential an agent is in reaching the current state, the more social responsibility is taken by other agents. Experiments in the Cleanup (resp. Harvest) test environment demonstrate that agents trained based on EMuReL learn to cooperate more effectively and obtain $54\%$ ($39\%$) and $20\%$ ($44\%$) more total rewards while preserving the same cooperation levels compared to when they are trained based on the two state-of-the-art reward reshaping methods inequity aversion and social influence.

The rising popularity of artificial intelligence in healthcare is highlighting the problem that a computational model achieving super-human clinical performance at its training sites may perform substantially worse at new sites. In this perspective, we present common sources for this failure to transport, which we divide into sources under the control of the experimenter and sources inherent to the clinical data-generating process. Of the inherent sources we look a little deeper into site-specific clinical practices that can affect the data distribution, and propose a potential solution intended to isolate the imprint of those practices on the data from the patterns of disease cause and effect that are the usual target of clinical models.

Autonomous systems are increasingly implemented using end-end-end trained controllers. Such controllers make decisions that are executed on the real system with images as one of the primary sensing modalities. Deep neural networks form a fundamental building block of such controllers. Unfortunately, the existing neural-network verification tools do not scale to inputs with thousands of dimensions. Especially when the individual inputs (such as pixels) are devoid of clear physical meaning. This paper takes a step towards connecting exhaustive closed-loop verification with high-dimensional controllers. Our key insight is that the behavior of a high-dimensional controller can be approximated with several low-dimensional controllers in different regions of the state space. To balance approximation and verifiability, we leverage the latest verification-aware knowledge distillation. Then, if low-dimensional reachability results are inflated with statistical approximation errors, they yield a high-confidence reachability guarantee for the high-dimensional controller. We investigate two inflation techniques -- based on trajectories and actions -- both of which show convincing performance in two OpenAI gym benchmarks.

In this paper, we look at a database of tweets sorted by various keywords that could indicate the users sentiment towards covid vaccines. With social media becoming such a prevalent source of opinion, sorting and ranking tweets that hold important information such as opinions on covid vaccines is of utmost importance. Two different ranking scales were used, and ranking a tweet in this way could represent the difference between an opinion being lost and an opinion being featured on the site, which affects the decisions and behavior of people, and why researchers were interested in it. Using natural language processing techniques, our aim is to determine and categorize opinions about covid vaccines with the highest accuracy possible.

Modern machine learning (ML) models have grown to a scale where training them on a single machine becomes impractical. As a result, there is a growing trend to leverage federated learning (FL) techniques to train large ML models in a distributed and collaborative manner. These models, however, when deployed on new devices, might struggle to generalize well due to domain shifts. In this context, federated domain adaptation (FDA) emerges as a powerful approach to address this challenge. Most existing FDA approaches typically focus on aligning the distributions between source and target domains by minimizing their (e.g., MMD) distance. Such strategies, however, inevitably introduce high communication overheads and can be highly sensitive to network reliability. In this paper, we introduce RF-TCA, an enhancement to the standard Transfer Component Analysis approach that significantly accelerates computation without compromising theoretical and empirical performance. Leveraging the computational advantage of RF-TCA, we further extend it to FDA setting with FedRF-TCA. The proposed FedRF-TCA protocol boasts communication complexity that is \emph{independent} of the sample size, while maintaining performance that is either comparable to or even surpasses state-of-the-art FDA methods. We present extensive experiments to showcase the superior performance and robustness (to network condition) of FedRF-TCA.

Good data stewardship requires removal of data at the request of the data's owner. This raises the question if and how a trained machine-learning model, which implicitly stores information about its training data, should be affected by such a removal request. Is it possible to "remove" data from a machine-learning model? We study this problem by defining certified removal: a very strong theoretical guarantee that a model from which data is removed cannot be distinguished from a model that never observed the data to begin with. We develop a certified-removal mechanism for linear classifiers and empirically study learning settings in which this mechanism is practical.

Semi-supervised entity alignment (EA) is a practical and challenging task because of the lack of adequate labeled mappings as training data. Most works address this problem by generating pseudo mappings for unlabeled entities. However, they either suffer from the erroneous (noisy) pseudo mappings or largely ignore the uncertainty of pseudo mappings. In this paper, we propose a novel semi-supervised EA method, termed as MixTEA, which guides the model learning with an end-to-end mixture teaching of manually labeled mappings and probabilistic pseudo mappings. We firstly train a student model using few labeled mappings as standard. More importantly, in pseudo mapping learning, we propose a bi-directional voting (BDV) strategy that fuses the alignment decisions in different directions to estimate the uncertainty via the joint matching confidence score. Meanwhile, we also design a matching diversity-based rectification (MDR) module to adjust the pseudo mapping learning, thus reducing the negative influence of noisy mappings. Extensive results on benchmark datasets as well as further analyses demonstrate the superiority and the effectiveness of our proposed method.

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a $\tilde{\mathcal{O}}(\varepsilon^{-2.5})$ sample complexity of this method for finding a global $\varepsilon$-optimal policy. Improving over the previously known $\tilde{\mathcal{O}}(\varepsilon^{-3})$ complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to $\tilde{ \mathcal{\mathcal{O}} }(\varepsilon^{-2})$ by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are $(i)$ simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; $(ii)$ computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

In this work, we consider the problem of intersectional group fairness in the classification setting, where the objective is to learn discrimination-free models in the presence of several intersecting sensitive groups. First, we illustrate various shortcomings of existing fairness measures commonly used to capture intersectional fairness. Then, we propose a new definition called the $\alpha$-Intersectional Fairness, which combines the absolute and the relative performance across sensitive groups and can be seen as a generalization of the notion of differential fairness. We highlight several desirable properties of the proposed definition and analyze its relation to other fairness measures. Finally, we benchmark multiple popular in-processing fair machine learning approaches using our new fairness definition and show that they do not achieve any improvement over a simple baseline. Our results reveal that the increase in fairness measured by previous definitions hides a "leveling down" effect, i.e., degrading the best performance over groups rather than improving the worst one.

As Large Language Models (LLMs) are deployed with increasing real-world responsibilities, it is important to be able to specify and constrain the behavior of these systems in a reliable manner. Model developers may wish to set explicit rules for the model, such as "do not generate abusive content", but these may be circumvented by jailbreaking techniques. Evaluating how well LLMs follow developer-provided rules in the face of adversarial inputs typically requires manual review, which slows down monitoring and methods development. To address this issue, we propose Rule-following Language Evaluation Scenarios (RuLES), a programmatic framework for measuring rule-following ability in LLMs. RuLES consists of 15 simple text scenarios in which the model is instructed to obey a set of rules in natural language while interacting with the human user. Each scenario has a concise evaluation program to determine whether the model has broken any rules in a conversation. Through manual exploration of model behavior in our scenarios, we identify 6 categories of attack strategies and collect two suites of test cases: one consisting of unique conversations from manual testing and one that systematically implements strategies from the 6 categories. Across various popular proprietary and open models such as GPT-4 and Llama 2, we find that all models are susceptible to a wide variety of adversarial hand-crafted user inputs, though GPT-4 is the best-performing model. Additionally, we evaluate open models under gradient-based attacks and find significant vulnerabilities. We propose RuLES as a challenging new setting for research into exploring and defending against both manual and automatic attacks on LLMs.

Pretrained transformers exhibit the remarkable ability of in-context learning (ICL): they can learn tasks from just a few examples provided in the prompt without updating any weights. This raises a foundational question: can ICL solve fundamentally $\textit{new}$ tasks that are very different from those seen during pretraining? To probe this question, we examine ICL's performance on linear regression while varying the diversity of tasks in the pretraining dataset. We empirically demonstrate a $\textit{task diversity threshold}$ for the emergence of ICL. Below this threshold, the pretrained transformer cannot solve unseen regression tasks, instead behaving like a Bayesian estimator with the $\textit{non-diverse pretraining task distribution}$ as the prior. Beyond this threshold, the transformer significantly outperforms this estimator; its behavior aligns with that of ridge regression, corresponding to a Gaussian prior over $\textit{all tasks}$, including those not seen during pretraining. Thus, when pretrained on data with task diversity greater than the threshold, transformers $\textit{can}$ optimally solve fundamentally new tasks in-context. Importantly, this capability hinges on it deviating from the Bayes optimal estimator with the pretraining distribution as the prior. This study also explores the effect of regularization, model capacity and task structure and underscores, in a concrete example, the critical role of task diversity, alongside data and model scale, in the emergence of ICL. Code is available at https://github.com/mansheej/icl-task-diversity.

Conditional sampling of variational autoencoders (VAEs) is needed in various applications, such as missing data imputation, but is computationally intractable. A principled choice for asymptotically exact conditional sampling is Metropolis-within-Gibbs (MWG). However, we observe that the tendency of VAEs to learn a structured latent space, a commonly desired property, can cause the MWG sampler to get "stuck" far from the target distribution. This paper mitigates the limitations of MWG: we systematically outline the pitfalls in the context of VAEs, propose two original methods that address these pitfalls, and demonstrate an improved performance of the proposed methods on a set of sampling tasks.

Since the seminal work of [9] and their Physics-Informed neural networks (PINNs), many efforts have been conducted towards solving partial differential equations (PDEs) with Deep Learning models. However, some challenges remain, for instance the extension of such models to complex three-dimensional geometries, and a study on how such approaches could be combined to classical numerical solvers. In this work, we justify the use of graph neural networks for these problems, based on the similarity between these architectures and the meshes used in traditional numerical techniques for solving partial differential equations. After proving an issue with the Physics-Informed framework for complex geometries, during the computation of PDE residuals, an alternative procedure is proposed, by combining classical numerical solvers and the Physics-Informed framework. Finally, we propose an implementation of this approach, that we test on a three-dimensional problem on an irregular geometry.

The goal of knowledge graph completion (KGC) is to predict missing links in a KG using trained facts that are already known. In recent, pre-trained language model (PLM) based methods that utilize both textual and structural information are emerging, but their performances lag behind state-of-the-art (SOTA) structure-based methods or some methods lose their inductive inference capabilities in the process of fusing structure embedding to text encoder. In this paper, we propose a novel method to effectively unify structure information and language semantics without losing the power of inductive reasoning. We adopt entity anchors and these anchors and textual description of KG elements are fed together into the PLM-based encoder to learn unified representations. In addition, the proposed method utilizes additional random negative samples which can be reused in the each mini-batch during contrastive learning to learn a generalized entity representations. We verify the effectiveness of the our proposed method through various experiments and analysis. The experimental results on standard benchmark widely used in link prediction task show that the proposed model outperforms existing the SOTA KGC models. Especially, our method show the largest performance improvement on FB15K-237, which is competitive to the SOTA of structure-based KGC methods.

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.

We introduce MELEP, which stands for Muti-label Expected Log of Empirical Predictions, a novel measure to estimate how effective it is to transfer knowledge from a pre-trained model to a downstream task in a multi-label settings. The measure is generic to work with new target data having a different label set from source data. It is also computationally efficient, only requires forward passing the downstream dataset through the pre-trained model once. To the best of our knowledge, we are the first to develop such a transferability metric for multi-label ECG classification problems. Our experiments show that MELEP can predict the performance of pre-trained convolutional and recurrent deep neural networks, on small and imbalanced ECG data. Specifically, strong correlation coefficients, with absolute values exceeding 0.6 in most cases, were observed between MELEP and the actual average F1 scores of the fine-tuned models.

Recently, bandit optimization has received significant attention in real-world safety-critical systems that involve repeated interactions with humans. While there exist various algorithms with performance guarantees in the literature, practical implementation of the algorithms has not received as much attention. This work presents a comprehensive study on the computational aspects of safe bandit algorithms, specifically safe linear bandits, by introducing a framework that leverages convex programming tools to create computationally efficient policies. In particular, we first characterize the properties of the optimal policy for safe linear bandit problem and then propose an end-to-end pipeline of safe linear bandit algorithms that only involves solving convex problems. We also numerically evaluate the performance of our proposed methods.

In this thesis, we develop theoretical, algorithmic and experimental contributions for Machine Learning with limited labels, and more specifically for the tasks of Image Classification and Object Detection in Computer Vision. In a first contribution, we are interested in bridging the gap between theory and practice for popular Meta-Learning algorithms used in Few-Shot Classification. We make connections to Multi-Task Representation Learning, which benefits from solid theoretical foundations, to verify the best conditions for a more efficient meta-learning. Then, to leverage unlabeled data when training object detectors based on the Transformer architecture, we propose both an unsupervised pretraining and a semi-supervised learning method in two other separate contributions. For pretraining, we improve Contrastive Learning for object detectors by introducing the localization information. Finally, our semi-supervised method is the first tailored to transformer-based detectors.

This paper explores network binarization, a radical form of quantization, compressing model weights to a single bit, specifically for Large Language Models (LLMs) compression. Due to previous binarization methods collapsing LLMs, we propose a novel approach, Partially-Binarized LLM (PB-LLM), which can achieve extreme low-bit quantization while maintaining the linguistic reasoning capacity of quantized LLMs. Specifically, our exploration first uncovers the ineffectiveness of naive applications of existing binarization algorithms and highlights the imperative role of salient weights in achieving low-bit quantization. Thus, PB-LLM filters a small ratio of salient weights during binarization, allocating them to higher-bit storage, i.e., partially-binarization. PB-LLM is extended to recover the capacities of quantized LMMs, by analyzing from the perspective of post-training quantization (PTQ) and quantization-aware training (QAT). Under PTQ, combining the concepts from GPTQ, we reconstruct the binarized weight matrix guided by the Hessian matrix and successfully recover the reasoning capacity of PB-LLM in low-bit. Under QAT, we freeze the salient weights during training, explore the derivation of optimal scaling factors crucial for minimizing the quantization error, and propose a scaling mechanism based on this derived scaling strategy for residual binarized weights. Those explorations and the developed methodologies significantly contribute to rejuvenating the performance of low-bit quantized LLMs and present substantial advancements in the field of network binarization for LLMs.The code is available at https://github.com/hahnyuan/BinaryLLM.

The advent of Industry 4.0 has precipitated the incorporation of Artificial Intelligence (AI) methods within industrial contexts, aiming to realize intelligent manufacturing, operation as well as maintenance, also known as industrial intelligence. However, intricate industrial milieus, particularly those relating to energy exploration and production, frequently encompass data characterized by long-tailed class distribution, sample imbalance, and domain shift. These attributes pose noteworthy challenges to data-centric Deep Learning (DL) techniques, crucial for the realization of industrial intelligence. The present study centers on the intricate and distinctive industrial scenarios of Nuclear Power Generation (NPG), meticulously scrutinizing the application of DL techniques under the constraints of finite data samples. Initially, the paper expounds on potential employment scenarios for AI across the full life-cycle of NPG. Subsequently, we delve into an evaluative exposition of DL's advancement, grounded in the finite sample perspective. This encompasses aspects such as small-sample learning, few-shot learning, zero-shot learning, and open-set recognition, also referring to the unique data characteristics of NPG. The paper then proceeds to present two specific case studies. The first revolves around the automatic recognition of zirconium alloy metallography, while the second pertains to open-set recognition for signal diagnosis of machinery sensors. These cases, spanning the entirety of NPG's life-cycle, are accompanied by constructive outcomes and insightful deliberations. By exploring and applying DL methodologies within the constraints of finite sample availability, this paper not only furnishes a robust technical foundation but also introduces a fresh perspective toward the secure and efficient advancement and exploitation of this advanced energy source.

We study how the topology of feature embedding space changes as it passes through the layers of a well-trained deep neural network (DNN) through Betti numbers. Motivated by existing studies using simplicial complexes on shallow fully connected networks (FCN), we present an extended analysis using Cubical homology instead, with a variety of popular deep architectures and real image datasets. We demonstrate that as depth increases, a topologically complicated dataset is transformed into a simple one, resulting in Betti numbers attaining their lowest possible value. The rate of decay in topological complexity (as a metric) helps quantify the impact of architectural choices on the generalization ability. Interestingly from a representation learning perspective, we highlight several invariances such as topological invariance of (1) an architecture on similar datasets; (2) embedding space of a dataset for architectures of variable depth; (3) embedding space to input resolution/size, and (4) data sub-sampling. In order to further demonstrate the link between expressivity \& the generalization capability of a network, we consider the task of ranking pre-trained models for downstream classification task (transfer learning). Compared to existing approaches, the proposed metric has a better correlation to the actually achievable accuracy via fine-tuning the pre-trained model.

Deep learning (DL) based resource allocation (RA) has recently gained a lot of attention due to its performance efficiency. However, most of the related studies assume an ideal case where the number of users and their utility demands, e.g., data rate constraints, are fixed and the designed DL based RA scheme exploits a policy trained only for these fixed parameters. A computationally complex policy retraining is required whenever these parameters change. Therefore, in this paper, a DL based resource allocator (ALCOR) is introduced, which allows users to freely adjust their utility demands based on, e.g., their application layer. ALCOR employs deep neural networks (DNNs), as the policy, in an iterative optimization algorithm. The optimization algorithm aims to optimize the on-off status of users in a time-sharing problem to satisfy their utility demands in expectation. The policy performs unconstrained RA (URA) -- RA without taking into account user utility demands -- among active users to maximize the sum utility (SU) at each time instant. Based on the chosen URA scheme, ALCOR can perform RA in a model-based or model-free manner and in a centralized or distributed scenario. Derived convergence analyses provide guarantees for the convergence of ALCOR, and numerical experiments corroborate its effectiveness.

Accelerometry has been extensively studied as an objective means of measuring upper limb function in patients post-stroke. The objective of this paper is to determine whether the accelerometry-derived measurements frequently used in more long-term rehabilitation studies can also be used to monitor and rapidly detect sudden changes in upper limb motor function in more recently hospitalized stroke patients. Six binary classification models were created by training on variable data window times of paretic upper limb accelerometer feature data. The models were assessed on their effectiveness for differentiating new input data into two classes: severe or moderately severe motor function. The classification models yielded Area Under the Curve (AUC) scores that ranged from 0.72 to 0.82 for 15-minute data windows to 0.77 to 0.94 for 120-minute data windows. These results served as a preliminary assessment and a basis on which to further investigate the efficacy of using accelerometry and machine learning to alert healthcare professionals to rapid changes in motor function in the days immediately following a stroke.

Watermarking generative models consists of planting a statistical signal (watermark) in a model's output so that it can be later verified that the output was generated by the given model. A strong watermarking scheme satisfies the property that a computationally bounded attacker cannot erase the watermark without causing significant quality degradation. In this paper, we study the (im)possibility of strong watermarking schemes. We prove that, under well-specified and natural assumptions, strong watermarking is impossible to achieve. This holds even in the private detection algorithm setting, where the watermark insertion and detection algorithms share a secret key, unknown to the attacker. To prove this result, we introduce a generic efficient watermark attack; the attacker is not required to know the private key of the scheme or even which scheme is used. Our attack is based on two assumptions: (1) The attacker has access to a "quality oracle" that can evaluate whether a candidate output is a high-quality response to a prompt, and (2) The attacker has access to a "perturbation oracle" which can modify an output with a nontrivial probability of maintaining quality, and which induces an efficiently mixing random walk on high-quality outputs. We argue that both assumptions can be satisfied in practice by an attacker with weaker computational capabilities than the watermarked model itself, to which the attacker has only black-box access. Furthermore, our assumptions will likely only be easier to satisfy over time as models grow in capabilities and modalities. We demonstrate the feasibility of our attack by instantiating it to attack three existing watermarking schemes for large language models: Kirchenbauer et al. (2023), Kuditipudi et al. (2023), and Zhao et al. (2023). The same attack successfully removes the watermarks planted by all three schemes, with only minor quality degradation.

In this paper, we propose to develop a new Cram\'er-Rao Bound (CRB) when the parameter to estimate lies in a manifold and follows a prior distribution. This derivation leads to a natural inequality between an error criteria based on geometrical properties and this new bound. This main contribution is illustrated in the problem of covariance estimation when the data follow a Gaussian distribution and the prior distribution is an inverse Wishart. Numerical simulation shows new results where the proposed CRB allows to exhibit interesting properties of the MAP estimator which are not observed with the classical Bayesian CRB.

In machine learning or scientific computing, model performance is measured with an objective function. But why choose one objective over another? Information theory gives one answer: To maximize the information in the model, select the objective function that represents the error in the fewest bits. To evaluate different objectives, transform them into likelihood functions. As likelihoods, their relative magnitude represents how strongly we should prefer one objective versus another, and the log of that relation represents the difference in their bit-length, as well as the difference in their uncertainty. In other words, prefer whichever objective minimizes the uncertainty. Under the information-theoretic paradigm, the ultimate objective is to maximize information (and minimize uncertainty), as opposed to any specific utility. We argue that this paradigm is well-suited to models that have many uses and no definite utility, like the large Earth system models used to understand the effects of climate change.

Binary Balanced Tree RvNNs (BBT-RvNNs) enforce sequence composition according to a preset balanced binary tree structure. Thus, their non-linear recursion depth is just $\log_2 n$ ($n$ being the sequence length). Such logarithmic scaling makes BBT-RvNNs efficient and scalable on long sequence tasks such as Long Range Arena (LRA). However, such computational efficiency comes at a cost because BBT-RvNNs cannot solve simple arithmetic tasks like ListOps. On the flip side, RvNNs (e.g., Beam Tree RvNN) that do succeed on ListOps (and other structure-sensitive tasks like formal logical inference) are generally several times more expensive than even RNNs. In this paper, we introduce a novel framework -- Recursion in Recursion (RIR) to strike a balance between the two sides - getting some of the benefits from both worlds. In RIR, we use a form of two-level nested recursion - where the outer recursion is a $k$-ary balanced tree model with another recursive model (inner recursion) implementing its cell function. For the inner recursion, we choose Beam Tree RvNNs (BT-RvNN). To adjust BT-RvNNs within RIR we also propose a novel strategy of beam alignment. Overall, this entails that the total recursive depth in RIR is upper-bounded by $k \log_k n$. Our best RIR-based model is the first model that demonstrates high ($\geq 90\%$) length-generalization performance on ListOps while at the same time being scalable enough to be trainable on long sequence inputs from LRA. Moreover, in terms of accuracy in the LRA language tasks, it performs competitively with Structured State Space Models (SSMs) without any special initialization - outperforming Transformers by a large margin. On the other hand, while SSMs can marginally outperform RIR on LRA, they (SSMs) fail to length-generalize on ListOps. Our code is available at: \url{https://github.com/JRC1995/BeamRecursionFamily/}.

Large Language Models (LLMs) with a billion or more parameters are prime targets for network pruning, which aims to reduce a portion of the network weights without compromising performance. Prior approaches such as Weights Magnitude, SparseGPT, and Wanda, either concentrated solely on weights or integrated weights with activations for sparsity. However, they overlooked the informative gradients derived from pretrained large language models. In this paper, we present a novel sparsity-centric pruning method for pretrained LLMs, termed Gradient-based Language Model Pruner (GBLM-Pruner). GBLM-Pruner leverages the first-order term of the Taylor expansion, operating in a training-free manner by harnessing properly normalized gradients from a few calibration samples to determine the importance pruning score, and substantially outperforms competitive counterparts like SparseGPT and Wanda in multiple benchmarks. Intriguing, after incorporating gradients, the unstructured pruning method tends to reveal some structural patterns post-pruning, which mirrors the geometric interdependence inherent in the LLMs' parameter structure. Additionally, GBLM-Pruner functions without any subsequent retraining or weight updates to maintain its simplicity as other counterparts. Extensive evaluations on LLaMA-1 and LLaMA-2 across various language benchmarks and perplexity show that GBLM-Pruner surpasses magnitude pruning, Wanda (weights+activations) and SparseGPT (weights+activations+weight update) by significant margins. Our code and models are available at https://github.com/RocktimJyotiDas/GBLM-Pruner.

Dynamic mode (DM) decomposition decomposes spatiotemporal signals into basic oscillatory components (DMs). DMs can improve the accuracy of neural decoding when used with the nonlinear Grassmann kernel, compared to conventional power features. However, such kernel-based machine learning algorithms have three limitations: large computational time preventing real-time application, incompatibility with non-kernel algorithms, and low interpretability. Here, we propose a mapping function corresponding to the Grassmann kernel that explicitly transforms DMs into spatial DM (sDM) features, which can be used in any machine learning algorithm. Using electrocorticographic signals recorded during various movement and visual perception tasks, the sDM features were shown to improve the decoding accuracy and computational time compared to conventional methods. Furthermore, the components of the sDM features informative for decoding showed similar characteristics to the high-$\gamma$ power of the signals, but with higher trial-to-trial reproducibility. The proposed sDM features enable fast, accurate, and interpretable neural decoding.

Certifiable, adaptive uncertainty estimates for unknown quantities are an essential ingredient of sequential decision-making algorithms. Standard approaches rely on problem-dependent concentration results and are limited to a specific combination of parameterization, noise family, and estimator. In this paper, we revisit the likelihood-based inference principle and propose to use likelihood ratios to construct any-time valid confidence sequences without requiring specialized treatment in each application scenario. Our method is especially suitable for problems with well-specified likelihoods, and the resulting sets always maintain the prescribed coverage in a model-agnostic manner. The size of the sets depends on a choice of estimator sequence in the likelihood ratio. We discuss how to provably choose the best sequence of estimators and shed light on connections to online convex optimization with algorithms such as Follow-the-Regularized-Leader. To counteract the initially large bias of the estimators, we propose a reweighting scheme that also opens up deployment in non-parametric settings such as RKHS function classes. We provide a non-asymptotic analysis of the likelihood ratio confidence sets size for generalized linear models, using insights from convex duality and online learning. We showcase the practical strength of our method on generalized linear bandit problems, survival analysis, and bandits with various additive noise distributions.

In an era of widespread web scraping, unlearnable dataset methods have the potential to protect data privacy by preventing deep neural networks from generalizing. But in addition to a number of practical limitations that make their use unlikely, we make a number of findings that call into question their ability to safeguard data. First, it is widely believed that neural networks trained on unlearnable datasets only learn shortcuts, simpler rules that are not useful for generalization. In contrast, we find that networks actually can learn useful features that can be reweighed for high test performance, suggesting that image protection is not assured. Unlearnable datasets are also believed to induce learning shortcuts through linear separability of added perturbations. We provide a counterexample, demonstrating that linear separability of perturbations is not a necessary condition. To emphasize why linearly separable perturbations should not be relied upon, we propose an orthogonal projection attack which allows learning from unlearnable datasets published in ICML 2021 and ICLR 2023. Our proposed attack is significantly less complex than recently proposed techniques.

In this work we search for best practices in pre-processing of Electrocardiogram (ECG) signals in order to train better classifiers for the diagnosis of heart conditions. State of the art machine learning algorithms have achieved remarkable results in classification of some heart conditions using ECG data, yet there appears to be no consensus on pre-processing best practices. Is this lack of consensus due to different conditions and architectures requiring different processing steps for optimal performance? Is it possible that state of the art deep-learning models have rendered pre-processing unnecessary? In this work we apply down-sampling, normalization, and filtering functions to 3 different multi-label ECG datasets and measure their effects on 3 different high-performing time-series classifiers. We find that sampling rates as low as 50Hz can yield comparable results to the commonly used 500Hz. This is significant as smaller sampling rates will result in smaller datasets and models, which require less time and resources to train. Additionally, despite their common usage, we found min-max normalization to be slightly detrimental overall, and band-passing to make no measurable difference. We found the blind approach to pre-processing of ECGs for multi-label classification to be ineffective, with the exception of sample rate reduction which reliably reduces computational resources, but does not increase accuracy.

Identifying root causes for unexpected or undesirable behavior in complex systems is a prevalent challenge. This issue becomes especially crucial in modern cloud applications that employ numerous microservices. Although the machine learning and systems research communities have proposed various techniques to tackle this problem, there is currently a lack of standardized datasets for quantitative benchmarking. Consequently, research groups are compelled to create their own datasets for experimentation. This paper introduces a dataset specifically designed for evaluating root cause analyses in microservice-based applications. The dataset encompasses latency, requests, and availability metrics emitted in 5-minute intervals from a distributed application. In addition to normal operation metrics, the dataset includes 68 injected performance issues, which increase latency and reduce availability throughout the system. We showcase how this dataset can be used to evaluate the accuracy of a variety of methods spanning different causal and non-causal characterisations of the root cause analysis problem. We hope the new dataset, available at https://github.com/amazon-science/petshop-root-cause-analysis/ enables further development of techniques in this important area.

Electrophysiological recordings of neural activity in a mouse's brain are very popular among neuroscientists for understanding brain function. One particular area of interest is acquiring recordings from the Purkinje cells in the cerebellum in order to understand brain injuries and the loss of motor functions. However, current setups for such experiments do not allow the mouse to move freely and, thus, do not capture its natural behaviour since they have a wired connection between the animal's head stage and an acquisition device. In this work, we propose a lightweight neuronal-spike detection and classification architecture that leverages on the unique characteristics of the Purkinje cells to discard unneeded information from the sparse neural data in real time. This allows the (condensed) data to be easily stored on a removable storage device on the head stage, alleviating the need for wires. Our proposed implementation shows a >95% overall classification accuracy while still resulting in a small-form-factor design, which allows for the free movement of mice during experiments. Moreover, the power-efficient nature of the design and the usage of STT-RAM (Spin Transfer Torque Magnetic Random Access Memory) as the removable storage allows the head stage to easily operate on a tiny battery for up to approximately 4 days.

Despite known differences between reading and listening in the brain, recent work has shown that text-based language models predict both text-evoked and speech-evoked brain activity to an impressive degree. This poses the question of what types of information language models truly predict in the brain. We investigate this question via a direct approach, in which we eliminate information related to specific low-level stimulus features (textual, speech, and visual) in the language model representations, and observe how this intervention affects the alignment with fMRI brain recordings acquired while participants read versus listened to the same naturalistic stories. We further contrast our findings with speech-based language models, which would be expected to predict speech-evoked brain activity better, provided they model language processing in the brain well. Using our direct approach, we find that both text-based and speech-based language models align well with early sensory regions due to shared low-level features. Text-based models continue to align well with later language regions even after removing these features, while, surprisingly, speech-based models lose most of their alignment. These findings suggest that speech-based models can be further improved to better reflect brain-like language processing.

The requirement of wireless data demands is increasingly high as the sixth-generation (6G) technology evolves. Reconfigurable intelligent surface (RIS) is promisingly deemed to be one of 6G techniques for extending service coverage, reducing power consumption, and enhancing spectral efficiency. In this article, we have provided some fundamentals of RIS deployment in theory and hardware perspectives as well as utilization of artificial intelligence (AI) and machine learning. We conducted an intelligent deployment of RIS (i-Dris) prototype, including dual-band auto-guided vehicle (AGV) assisted RISs associated with an mmWave base station (BS) and a receiver. The RISs are deployed on the AGV with configured incident/reflection angles. While, both the mmWave BS and receiver are associated with an edge server monitoring downlink packets for obtaining system throughput. We have designed a federated multi-agent reinforcement learning scheme associated with several AGV-RIS agents and sub-agents per AGV-RIS consisting of the deployment of position, height, orientation and elevation angles. The experimental results presented the stationary measurement in different aspects and scenarios. The i-Dris can reach up to 980 Mbps transmission throughput under a bandwidth of 100 MHz with comparably low complexity as well as rapid deployment, which outperforms the other existing works. At last, we highlight some opportunities and future issues in leveraging RIS-empowered wireless communication networks.

Online conversations can be toxic and subjected to threats, abuse, or harassment. To identify toxic text comments, several deep learning and machine learning models have been proposed throughout the years. However, recent studies demonstrate that because of the imbalances in the training data, some models are more likely to show unintended biases including gender bias and identity bias. In this research, our aim is to detect toxic comment and reduce the unintended bias concerning identity features such as race, gender, sex, religion by fine-tuning an attention based model called BERT(Bidirectional Encoder Representation from Transformers). We apply weighted loss to address the issue of unbalanced data and compare the performance of a fine-tuned BERT model with a traditional Logistic Regression model in terms of classification and bias minimization. The Logistic Regression model with the TFIDF vectorizer achieve 57.1% accuracy, and fine-tuned BERT model's accuracy is 89%. Code is available at https://github.com/zim10/Determine_Toxic_comment_and_identity_bias.git

This paper introduces causal scoring as a novel approach to frame causal estimation in the context of decision making. Causal scoring entails the estimation of scores that support decision making by providing insights into causal effects. We present three valuable causal interpretations of these scores: effect estimation (EE), effect ordering (EO), and effect classification (EC). In the EE interpretation, the causal score represents the effect itself. The EO interpretation implies that the score can serve as a proxy for the magnitude of the effect, enabling the sorting of individuals based on their causal effects. The EC interpretation enables the classification of individuals into high- and low-effect categories using a predefined threshold. We demonstrate the value of these alternative causal interpretations (EO and EC) through two key results. First, we show that aligning the statistical modeling with the desired causal interpretation improves the accuracy of causal estimation. Second, we establish that more flexible causal interpretations are plausible in a wider range of data-generating processes and propose conditions to assess their validity. We showcase the practical utility of the causal scoring framework through examples in diverse fields such as advertising, healthcare, and education, illustrating how it facilitates reasoning about flexible causal interpretations of statistical estimates in various contexts. The examples encompass confounded estimates, effect estimates on surrogate outcomes, and even predictions about non-causal quantities as potential causal scores.

Nonlinear dynamical systems can be handily described by the associated Koopman operator, whose action evolves every observable of the system forward in time. Learning the Koopman operator and its spectral decomposition from data is enabled by a number of algorithms. In this work we present for the first time non-asymptotic learning bounds for the Koopman eigenvalues and eigenfunctions. We focus on time-reversal-invariant stochastic dynamical systems, including the important example of Langevin dynamics. We analyze two popular estimators: Extended Dynamic Mode Decomposition (EDMD) and Reduced Rank Regression (RRR). Our results critically hinge on novel {minimax} estimation bounds for the operator norm error, that may be of independent interest. Our spectral learning bounds are driven by the simultaneous control of the operator norm error and a novel metric distortion functional of the estimated eigenfunctions. The bounds indicates that both EDMD and RRR have similar variance, but EDMD suffers from a larger bias which might be detrimental to its learning rate. Our results shed new light on the emergence of spurious eigenvalues, an issue which is well known empirically. Numerical experiments illustrate the implications of the bounds in practice.

Research on data generation and augmentation has been focused majorly on enhancing generation models, leaving a notable gap in the exploration and refinement of methods for evaluating synthetic data. There are several text similarity metrics within the context of generated data filtering which can impact the performance of specific Natural Language Understanding (NLU) tasks, specifically focusing on intent and sentiment classification. In this study, we propose RankAug, a text-ranking approach that detects and filters out the top augmented texts in terms of being most similar in meaning with lexical and syntactical diversity. Through experiments conducted on multiple datasets, we demonstrate that the judicious selection of filtering techniques can yield a substantial improvement of up to 35% in classification accuracy for under-represented classes.

The conventional federated learning (FedL) architecture distributes machine learning (ML) across worker devices by having them train local models that are periodically aggregated by a server. FedL ignores two important characteristics of contemporary wireless networks, however: (i) the network may contain heterogeneous communication/computation resources, and (ii) there may be significant overlaps in devices' local data distributions. In this work, we develop a novel optimization methodology that jointly accounts for these factors via intelligent device sampling complemented by device-to-device (D2D) offloading. Our optimization methodology aims to select the best combination of sampled nodes and data offloading configuration to maximize FedL training accuracy while minimizing data processing and D2D communication resource consumption subject to realistic constraints on the network topology and device capabilities. Theoretical analysis of the D2D offloading subproblem leads to new FedL convergence bounds and an efficient sequential convex optimizer. Using these results, we develop a sampling methodology based on graph convolutional networks (GCNs) which learns the relationship between network attributes, sampled nodes, and D2D data offloading to maximize FedL accuracy. Through evaluation on popular datasets and real-world network measurements from our edge testbed, we find that our methodology outperforms popular device sampling methodologies from literature in terms of ML model performance, data processing overhead, and energy consumption.

In recent years, computer vision has transformed fields such as medical imaging, object recognition, and geospatial analytics. One of the fundamental tasks in computer vision is semantic image segmentation, which is vital for precise object delineation. Autonomous driving represents one of the key areas where computer vision algorithms are applied. The task of road surface segmentation is crucial in self-driving systems, but it requires a labor-intensive annotation process in several data domains. The work described in this paper aims to improve the efficiency of image segmentation using a convolutional neural network in a multi-sensor setup. This approach leverages lidar (Light Detection and Ranging) annotations to directly train image segmentation models on RGB images. Lidar supplements the images by emitting laser pulses and measuring reflections to provide depth information. However, lidar's sparse point clouds often create difficulties for accurate object segmentation. Segmentation of point clouds requires time-consuming preliminary data preparation and a large amount of computational resources. The key innovation of our approach is the masked loss, addressing sparse ground-truth masks from point clouds. By calculating loss exclusively where lidar points exist, the model learns road segmentation on images by using lidar points as ground truth. This approach allows for blending of different ground-truth data types during model training. Experimental validation of the approach on benchmark datasets shows comparable performance to a high-quality image segmentation model. Incorporating lidar reduces the load on annotations and enables training of image-segmentation models without loss of segmentation quality. The methodology is tested on diverse datasets, both publicly available and proprietary. The strengths and weaknesses of the proposed method are also discussed in the paper.

Machine Learning (ML) models become vulnerable to Model Stealing Attacks (MSA) when they are deployed as a service. In such attacks, the deployed model is queried repeatedly to build a labelled dataset. This dataset allows the attacker to train a thief model that mimics the original model. To maximize query efficiency, the attacker has to select the most informative subset of data points from the pool of available data. Existing attack strategies utilize approaches like Active Learning and Semi-Supervised learning to minimize costs. However, in the black-box setting, these approaches may select sub-optimal samples as they train only one thief model. Depending on the thief model's capacity and the data it was pretrained on, the model might even select noisy samples that harm the learning process. In this work, we explore the usage of an ensemble of deep learning models as our thief model. We call our attack Army of Thieves(AOT) as we train multiple models with varying complexities to leverage the crowd's wisdom. Based on the ensemble's collective decision, uncertain samples are selected for querying, while the most confident samples are directly included in the training data. Our approach is the first one to utilize an ensemble of thief models to perform model extraction. We outperform the base approaches of existing state-of-the-art methods by at least 3% and achieve a 21% higher adversarial sample transferability than previous work for models trained on the CIFAR-10 dataset.

In this paper, we develop data-dependent and algorithm-dependent generalization bounds for transductive learning algorithms in the context of information theory for the first time. We show that the generalization gap of transductive learning algorithms can be bounded by the mutual information between training labels and hypothesis. By innovatively proposing the concept of transductive supersamples, we go beyond the inductive learning setting and establish upper bounds in terms of various information measures. Furthermore, we derive novel PAC-Bayesian bounds and build the connection between generalization and loss landscape flatness under the transductive learning setting. Finally, we present the upper bounds for adaptive optimization algorithms and demonstrate the applications of results on semi-supervised learning and graph learning scenarios. Our theoretic results are validated on both synthetic and real-world datasets.

A community structure that is often present in complex networks plays an important role not only in their formation but also shapes dynamics of these networks, affecting properties of their nodes. In this paper, we propose a family of community-aware node features and then investigate their properties. We show that they have high predictive power for classification tasks. We also verify that they contain information that cannot be recovered neither by classical node features nor by node embeddings (both classical as well as structural).

In response to the burgeoning global demand for seafood and the challenges of managing fish farms, we introduce an innovative IoT based environmental control system that integrates sensor technology and advanced machine learning decision support. Deploying a network of wireless sensors within the fish farm, we continuously collect real-time data on crucial environmental parameters, including water temperature, pH levels, humidity, and fish behavior. This data undergoes meticulous preprocessing to ensure its reliability, including imputation, outlier detection, feature engineering, and synchronization. At the heart of our system are four distinct machine learning algorithms: Random Forests predict and optimize water temperature and pH levels for the fish, fostering their health and growth; Support Vector Machines (SVMs) function as an early warning system, promptly detecting diseases and parasites in fish; Gradient Boosting Machines (GBMs) dynamically fine-tune the feeding schedule based on real-time environmental conditions, promoting resource efficiency and fish productivity; Neural Networks manage the operation of critical equipment like water pumps and heaters to maintain the desired environmental conditions within the farm. These machine learning algorithms collaboratively make real-time decisions to ensure that the fish farm's environmental conditions align with predefined specifications, leading to improved fish health and productivity while simultaneously reducing resource wastage, thereby contributing to increased profitability and sustainability. This research article showcases the power of data-driven decision support in fish farming, promising to meet the growing demand for seafood while emphasizing environmental responsibility and economic viability, thus revolutionizing the future of fish farming.

We propose the first Large Reconstruction Model (LRM) that predicts the 3D model of an object from a single input image within just 5 seconds. In contrast to many previous methods that are trained on small-scale datasets such as ShapeNet in a category-specific fashion, LRM adopts a highly scalable transformer-based architecture with 500 million learnable parameters to directly predict a neural radiance field (NeRF) from the input image. We train our model in an end-to-end manner on massive multi-view data containing around 1 million objects, including both synthetic renderings from Objaverse and real captures from MVImgNet. This combination of a high-capacity model and large-scale training data empowers our model to be highly generalizable and produce high-quality 3D reconstructions from various testing inputs including real-world in-the-wild captures and images from generative models. Video demos and interactable 3D meshes can be found on this website: https://yiconghong.me/LRM/.

This study focuses on the optimization of the Big-means algorithm for clustering large-scale datasets, exploring four distinct parallelization strategies. We conducted extensive experiments to assess the computational efficiency, scalability, and clustering performance of each approach, revealing their benefits and limitations. The paper also delves into the trade-offs between computational efficiency and clustering quality, examining the impacts of various factors. Our insights provide practical guidance on selecting the best parallelization strategy based on available resources and dataset characteristics, contributing to a deeper understanding of parallelization techniques for the Big-means algorithm.

Oobleck enables resilient distributed training of large DNN models with guaranteed fault tolerance. It takes a planning-execution co-design approach, where it first generates a set of heterogeneous pipeline templates and instantiates at least $f+1$ logically equivalent pipeline replicas to tolerate any $f$ simultaneous failures. During execution, it relies on already-replicated model states across the replicas to provide fast recovery. Oobleck provably guarantees that some combination of the initially created pipeline templates can be used to cover all available resources after $f$ or fewer simultaneous failures, thereby avoiding resource idling at all times. Evaluation on large DNN models with billions of parameters shows that Oobleck provides consistently high throughput, and it outperforms state-of-the-art fault tolerance solutions like Bamboo and Varuna by up to $29.6x$.

We present a novel framework for generating adversarial benchmarks to evaluate the robustness of image classification models. Our framework allows users to customize the types of distortions to be optimally applied to images, which helps address the specific distortions relevant to their deployment. The benchmark can generate datasets at various distortion levels to assess the robustness of different image classifiers. Our results show that the adversarial samples generated by our framework with any of the image classification models, like ResNet-50, Inception-V3, and VGG-16, are effective and transferable to other models causing them to fail. These failures happen even when these models are adversarially retrained using state-of-the-art techniques, demonstrating the generalizability of our adversarial samples. We achieve competitive performance in terms of net $L_2$ distortion compared to state-of-the-art benchmark techniques on CIFAR-10 and ImageNet; however, we demonstrate our framework achieves such results with simple distortions like Gaussian noise without introducing unnatural artifacts or color bleeds. This is made possible by a model-based reinforcement learning (RL) agent and a technique that reduces a deep tree search of the image for model sensitivity to perturbations, to a one-level analysis and action. The flexibility of choosing distortions and setting classification probability thresholds for multiple classes makes our framework suitable for algorithmic audits.

Symmetries have been leveraged to improve the generalization of neural networks through different mechanisms from data augmentation to equivariant architectures. However, despite their potential, their integration into neural solvers for partial differential equations (PDEs) remains largely unexplored. We explore the integration of PDE symmetries, known as Lie point symmetries, in a major family of neural solvers known as physics-informed neural networks (PINNs). We propose a loss function that informs the network about Lie point symmetries in the same way that PINN models try to enforce the underlying PDE through a loss function. Intuitively, our symmetry loss ensures that the infinitesimal generators of the Lie group conserve the PDE solutions. Effectively, this means that once the network learns a solution, it also learns the neighbouring solutions generated by Lie point symmetries. Empirical evaluations indicate that the inductive bias introduced by the Lie point symmetries of the PDEs greatly boosts the sample efficiency of PINNs.

Large Language Models (LLMs) have issues with document question answering (QA) in situations where the document is unable to fit in the small context length of an LLM. To overcome this issue, most existing works focus on retrieving the relevant context from the document, representing them as plain text. However, documents such as PDFs, web pages, and presentations are naturally structured with different pages, tables, sections, and so on. Representing such structured documents as plain text is incongruous with the user's mental model of these documents with rich structure. When a system has to query the document for context, this incongruity is brought to the fore, and seemingly trivial questions can trip up the QA system. To bridge this fundamental gap in handling structured documents, we propose an approach called PDFTriage that enables models to retrieve the context based on either structure or content. Our experiments demonstrate the effectiveness of the proposed PDFTriage-augmented models across several classes of questions where existing retrieval-augmented LLMs fail. To facilitate further research on this fundamental problem, we release our benchmark dataset consisting of 900+ human-generated questions over 80 structured documents from 10 different categories of question types for document QA. Our code and datasets will be released soon on Github.

In this paper we propose a general framework to integrate supervised and unsupervised examples with background knowledge expressed by a collection of first-order logic clauses into kernel machines. In particular, we consider a multi-task learning scheme where multiple predicates defined on a set of objects are to be jointly learned from examples, enforcing a set of FOL constraints on the admissible configurations of their values. The predicates are defined on the feature spaces, in which the input objects are represented, and can be either known a priori or approximated by an appropriate kernel-based learner. A general approach is presented to convert the FOL clauses into a continuous implementation that can deal with the outputs computed by the kernel-based predicates. The learning problem is formulated as a semi-supervised task that requires the optimization in the primal of a loss function that combines a fitting loss measure on the supervised examples, a regularization term, and a penalty term that enforces the constraints on both the supervised and unsupervised examples. Unfortunately, the penalty term is not convex and it can hinder the optimization process. However, it is possible to avoid poor solutions by using a two stage learning schema, in which the supervised examples are learned first and then the constraints are enforced.

We study the robust best-arm identification problem (RBAI) in the case of linear rewards. The primary objective is to identify a near-optimal robust arm, which involves selecting arms at every round and assessing their robustness by exploring potential adversarial actions. This approach is particularly relevant when utilizing a simulator and seeking to identify a robust solution for real-world transfer. To this end, we present an instance-dependent lower bound for the robust best-arm identification problem with linear rewards. Furthermore, we propose both static and adaptive bandit algorithms that achieve sample complexity that matches the lower bound. In synthetic experiments, our algorithms effectively identify the best robust arm and perform similarly to the oracle strategy. As an application, we examine diabetes care and the process of learning insulin dose recommendations that are robust with respect to inaccuracies in standard calculators. Our algorithms prove to be effective in identifying robust dosage values across various age ranges of patients.

Graph Neural Networks (GNNs) have improved unsupervised community detection of clustered nodes due to their ability to encode the dual dimensionality of the connectivity and feature information spaces of graphs. Identifying the latent communities has many practical applications from social networks to genomics. Current benchmarks of real world performance are confusing due to the variety of decisions influencing the evaluation of GNNs at this task. To address this, we propose a framework to establish a common evaluation protocol. We motivate and justify it by demonstrating the differences with and without the protocol. The W Randomness Coefficient is a metric proposed for assessing the consistency of algorithm rankings to quantify the reliability of results under the presence of randomness. We find that by ensuring the same evaluation criteria is followed, there may be significant differences from the reported performance of methods at this task, but a more complete evaluation and comparison of methods is possible.

Hesitant fuzzy sets are widely used in the instances of uncertainty and hesitation. The inclusion relationship is an important and foundational definition for sets. Hesitant fuzzy set, as a kind of set, needs explicit definition of inclusion relationship. Base on the hesitant fuzzy membership degree of discrete form, several kinds of inclusion relationships for hesitant fuzzy sets are proposed. And then some foundational propositions of hesitant fuzzy sets and the families of hesitant fuzzy sets are presented. Finally, some foundational propositions of hesitant fuzzy information systems with respect to parameter reductions are put forward, and an example and an algorithm are given to illustrate the processes of parameter reductions.

The paradigm of Transformers using the self-attention mechanism has manifested its advantage in learning graph-structured data. Yet, Graph Transformers are capable of modeling full range dependencies but are often deficient in extracting information from locality. A common practice is to utilize Message Passing Neural Networks (MPNNs) as an auxiliary to capture local information, which however are still inadequate for comprehending substructures. In this paper, we present a purely attention-based architecture, namely Focal and Full-Range Graph Transformer (FFGT), which can mitigate the loss of local information in learning global correlations. The core component of FFGT is a new mechanism of compound attention, which combines the conventional full-range attention with K-hop focal attention on ego-nets to aggregate both global and local information. Beyond the scope of canonical Transformers, the FFGT has the merit of being more substructure-aware. Our approach enhances the performance of existing Graph Transformers on various open datasets, while achieves compatible SOTA performance on several Long-Range Graph Benchmark (LRGB) datasets even with a vanilla transformer. We further examine influential factors on the optimal focal length of attention via introducing a novel synthetic dataset based on SBM-PATTERN.

Full-waveform inversion (FWI) is a powerful geophysical imaging technique that infers high-resolution subsurface physical parameters by solving a non-convex optimization problem. However, due to limitations in observation, e.g., limited shots or receivers, and random noise, conventional inversion methods are confronted with numerous challenges, such as the local-minimum problem. In recent years, a substantial body of work has demonstrated that the integration of deep neural networks and partial differential equations for solving full-waveform inversion problems has shown promising performance. In this work, drawing inspiration from the expressive capacity of neural networks, we provide an unsupervised learning approach aimed at accurately reconstructing subsurface physical velocity parameters. This method is founded on a re-parametrization technique for Bayesian inference, achieved through a deep neural network with random weights. Notably, our proposed approach does not hinge upon the requirement of the labeled training dataset, rendering it exceedingly versatile and adaptable to diverse subsurface models. Extensive experiments show that the proposed approach performs noticeably better than existing conventional inversion methods.

With the waning of Moore's law, optimizing program performance has become a major focus of software research. However, high-level optimizations such as API and algorithm changes remain elusive due to the difficulty of understanding the semantics of code. Simultaneously, pretrained large language models (LLMs) have demonstrated strong capabilities at solving a wide range of programming tasks. To that end, we introduce a framework for adapting LLMs to high-level program optimization. First, we curate a dataset of performance-improving edits made by human programmers of over 77K competitive C++ programming submission pairs, accompanied by extensive unit tests. A major challenge is the significant variability of measuring performance on commodity hardware, which can lead to spurious "improvements". To isolate and reliably evaluate the impact of program optimizations, we design an environment based on the gem5 full system simulator, the de facto simulator used in academia and industry. Next, we propose a broad range of adaptation strategies for code optimization; for prompting, these include retrieval-based few-shot prompting and chain-of-thought, and for finetuning, these include performance-conditioned generation and synthetic data augmentation based on self-play. A combination of these techniques achieves an average speedup of 5.65X on CodeLlama-13B and 6.86X on GPT-3.5, surpassing the best human performance (4.06X). We find our proposed performance-conditioned generation is particularly effective at improving performance as well as increasing the fraction of optimized programs.

Sepsis requires urgent diagnosis, but research is predominantly focused on Western datasets. In this study, we perform a comparative analysis of two ensemble learning methods, LightGBM and XGBoost, using the public eICU-CRD dataset and a private South Korean St. Mary's Hospital's dataset. Our analysis reveals the effectiveness of these methods in addressing healthcare data imbalance and enhancing sepsis detection. Specifically, LightGBM shows a slight edge in computational efficiency and scalability. The study paves the way for the broader application of machine learning in critical care, thereby expanding the reach of predictive analytics in healthcare globally.

Procedural Content Generation (PCG) is a technique to generate complex and diverse environments in an automated way. However, while generating content with PCG methods is often straightforward, generating meaningful content that reflects specific intentions and constraints remains challenging. Furthermore, many PCG algorithms lack the ability to generate content in an open-ended manner. Recently, Large Language Models (LLMs) have shown to be incredibly effective in many diverse domains. These trained LLMs can be fine-tuned, re-using information and accelerating training for new tasks. Here, we introduce MarioGPT, a fine-tuned GPT2 model trained to generate tile-based game levels, in our case Super Mario Bros levels. MarioGPT can not only generate diverse levels, but can be text-prompted for controllable level generation, addressing one of the key challenges of current PCG techniques. As far as we know, MarioGPT is the first text-to-level model and combined with novelty search it enables the generation of diverse levels with varying play-style dynamics (i.e. player paths) and the open-ended discovery of an increasingly diverse range of content. Code available at https://github.com/shyamsn97/mario-gpt.

We introduce a text-to-speech(TTS) framework based on a neural transducer. We use discretized semantic tokens acquired from wav2vec2.0 embeddings, which makes it easy to adopt a neural transducer for the TTS framework enjoying its monotonic alignment constraints. The proposed model first generates aligned semantic tokens using the neural transducer, then synthesizes a speech sample from the semantic tokens using a non-autoregressive(NAR) speech generator. This decoupled framework alleviates the training complexity of TTS and allows each stage to focus on 1) linguistic and alignment modeling and 2) fine-grained acoustic modeling, respectively. Experimental results on the zero-shot adaptive TTS show that the proposed model exceeds the baselines in speech quality and speaker similarity via objective and subjective measures. We also investigate the inference speed and prosody controllability of our proposed model, showing the potential of the neural transducer for TTS frameworks.

This paper establishes the nearly optimal rate of approximation for deep neural networks (DNNs) when applied to Korobov functions, effectively overcoming the curse of dimensionality. The approximation results presented in this paper are measured with respect to $L_p$ norms and $H^1$ norms. Our achieved approximation rate demonstrates a remarkable "super-convergence" rate, outperforming traditional methods and any continuous function approximator. These results are non-asymptotic, providing error bounds that consider both the width and depth of the networks simultaneously.

Recently, the DETR framework has emerged as the dominant approach for human--object interaction (HOI) research. In particular, two-stage transformer-based HOI detectors are amongst the most performant and training-efficient approaches. However, these often condition HOI classification on object features that lack fine-grained contextual information, eschewing pose and orientation information in favour of visual cues about object identity and box extremities. This naturally hinders the recognition of complex or ambiguous interactions. In this work, we study these issues through visualisations and carefully designed experiments. Accordingly, we investigate how best to re-introduce image features via cross-attention. With an improved query design, extensive exploration of keys and values, and box pair positional embeddings as spatial guidance, our model with enhanced predicate visual context (PViC) outperforms state-of-the-art methods on the HICO-DET and V-COCO benchmarks, while maintaining low training cost.

We present a consistent and highly scalable local approach to learn the causal structure of a linear Gaussian polytree using data from interventional experiments with known intervention targets. Our methods first learn the skeleton of the polytree and then orient its edges. The output is a CPDAG representing the interventional equivalence class of the polytree of the true underlying distribution. The skeleton and orientation recovery procedures we use rely on second order statistics and low-dimensional marginal distributions. We assess the performance of our methods under different scenarios in synthetic data sets and apply our algorithm to learn a polytree in a gene expression interventional data set. Our simulation studies demonstrate that our approach is fast, has good accuracy in terms of structural Hamming distance, and handles problems with thousands of nodes.

Deep generative models can generate high-fidelity audio conditioned on various types of representations (e.g., mel-spectrograms, Mel-frequency Cepstral Coefficients (MFCC)). Recently, such models have been used to synthesize audio waveforms conditioned on highly compressed representations. Although such methods produce impressive results, they are prone to generate audible artifacts when the conditioning is flawed or imperfect. An alternative modeling approach is to use diffusion models. However, these have mainly been used as speech vocoders (i.e., conditioned on mel-spectrograms) or generating relatively low sampling rate signals. In this work, we propose a high-fidelity multi-band diffusion-based framework that generates any type of audio modality (e.g., speech, music, environmental sounds) from low-bitrate discrete representations. At equal bit rate, the proposed approach outperforms state-of-the-art generative techniques in terms of perceptual quality. Training and, evaluation code, along with audio samples, are available on the facebookresearch/audiocraft Github page.

Cross-domain sequential recommendation (CDSR) aims to address the data sparsity problems that exist in traditional sequential recommendation (SR) systems. The existing approaches aim to design a specific cross-domain unit that can transfer and propagate information across multiple domains by relying on overlapping users with abundant behaviors. However, in real-world recommender systems, CDSR scenarios usually consist of a majority of long-tailed users with sparse behaviors and cold-start users who only exist in one domain. This leads to a drop in the performance of existing CDSR methods in the real-world industry platform. Therefore, improving the consistency and effectiveness of models in open-world CDSR scenarios is crucial for constructing CDSR models (\textit{1st} CH). Recently, some SR approaches have utilized auxiliary behaviors to complement the information for long-tailed users. However, these multi-behavior SR methods cannot deliver promising performance in CDSR, as they overlook the semantic gap between target and auxiliary behaviors, as well as user interest deviation across domains (\textit{2nd} CH).

Object-centric architectures usually apply a differentiable module to the entire feature map to decompose it into sets of entity representations called slots. Some of these methods structurally resemble clustering algorithms, where the cluster's center in latent space serves as a slot representation. Slot Attention is an example of such a method, acting as a learnable analog of the soft k-means algorithm. Our work employs a learnable clustering method based on the Gaussian Mixture Model. Unlike other approaches, we represent slots not only as centers of clusters but also incorporate information about the distance between clusters and assigned vectors, leading to more expressive slot representations. Our experiments demonstrate that using this approach instead of Slot Attention improves performance in object-centric scenarios, achieving state-of-the-art results in the set property prediction task.

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student t mixture or Gaussian mixture. We then apply the inverse Fourier transform to obtain the covariance function (according to the Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. We are the first to discover its rationale and effectiveness for PDE solving. Next,we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to greatly promote computational efficiency and scalability, without any low-rank approximations. We show the advantage of our method in systematic experiments.

Contrastive learning has recently emerged as a promising approach for learning data representations that discover and disentangle the explanatory factors of the data. Previous analyses of such approaches have largely focused on individual contrastive losses, such as noise-contrastive estimation (NCE) and InfoNCE, and rely on specific assumptions about the data generating process. This paper extends the theoretical guarantees for disentanglement to a broader family of contrastive methods, while also relaxing the assumptions about the data distribution. Specifically, we prove identifiability of the true latents for four contrastive losses studied in this paper, without imposing common independence assumptions. The theoretical findings are validated on several benchmark datasets. Finally, practical limitations of these methods are also investigated.

Although graph neural networks have achieved great success in the task of molecular property prediction in recent years, their generalization ability under out-of-distribution (OOD) settings is still under-explored. Different from existing methods that learn discriminative representations for prediction, we propose a generative model with semantic-components identifiability, named SCI. We demonstrate that the latent variables in this generative model can be explicitly identified into semantic-relevant (SR) and semantic-irrelevant (SI) components, which contributes to better OOD generalization by involving minimal change properties of causal mechanisms. Specifically, we first formulate the data generation process from the atom level to the molecular level, where the latent space is split into SI substructures, SR substructures, and SR atom variables. Sequentially, to reduce misidentification, we restrict the minimal changes of the SR atom variables and add a semantic latent substructure regularization to mitigate the variance of the SR substructure under augmented domain changes. Under mild assumptions, we prove the block-wise identifiability of the SR substructure and the comment-wise identifiability of SR atom variables. Experimental studies achieve state-of-the-art performance and show general improvement on 21 datasets in 3 mainstream benchmarks. Moreover, the visualization results of the proposed SCI method provide insightful case studies and explanations for the prediction results. The code is available at: https://github.com/DMIRLAB-Group/SCI.

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather prediction, and urban planning. Neural Partial Differential Equations (Neural PDEs), which combine deep learning (DL) techniques with domain expertise (e.g., governing equations) for parameterization, have proven to be effective in capturing valuable correlations within spatiotemporal datasets. However, sparse and noisy measurements coupled with modeling approximation introduce aleatoric and epistemic uncertainties. Therefore, quantifying uncertainties propagated from model inputs to outputs remains a challenge and an essential goal for establishing the trustworthiness of Neural PDEs. This work evaluates various Uncertainty Quantification (UQ) approaches for both Forward and Inverse Problems in scientific applications. Specifically, we investigate the effectiveness of Bayesian methods, such as Hamiltonian Monte Carlo (HMC) and Monte-Carlo Dropout (MCD), and a more conventional approach, Deep Ensembles (DE). To illustrate their performance, we take two canonical PDEs: Burger's equation and the Navier-Stokes equation. Our results indicate that Neural PDEs can effectively reconstruct flow systems and predict the associated unknown parameters. However, it is noteworthy that the results derived from Bayesian methods, based on our observations, tend to display a higher degree of certainty in their predictions as compared to those obtained using the DE. This elevated certainty in predictions suggests that Bayesian techniques might underestimate the true underlying uncertainty, thereby appearing more confident in their predictions than the DE approach.

We investigate the spectral properties of linear-width feed-forward neural networks, where the sample size is asymptotically proportional to network width. Empirically, we show that the spectra of weight in this high dimensional regime are invariant when trained by gradient descent for small constant learning rates; we provide a theoretical justification for this observation and prove the invariance of the bulk spectra for both conjugate and neural tangent kernels. We demonstrate similar characteristics when training with stochastic gradient descent with small learning rates. When the learning rate is large, we exhibit the emergence of an outlier whose corresponding eigenvector is aligned with the training data structure. We also show that after adaptive gradient training, where a lower test error and feature learning emerge, both weight and kernel matrices exhibit heavy tail behavior. Simple examples are provided to explain when heavy tails can have better generalizations. We exhibit different spectral properties such as invariant bulk, spike, and heavy-tailed distribution from a two-layer neural network using different training strategies, and then correlate them to the feature learning. Analogous phenomena also appear when we train conventional neural networks with real-world data. We conclude that monitoring the evolution of the spectra during training is an essential step toward understanding the training dynamics and feature learning.

The path to an autism diagnosis can be long and difficult, and delays can have serious consequences. Artificial intelligence can completely change the way autism is diagnosed, especially when it comes to situations where it is difficult to see the first signs of the disease. AI-based diagnostic tools may help confirm a diagnosis or highlight the need for further testing by analyzing large volumes of data and uncovering patterns that may not be immediately apparent to human evaluators. After a successful and timely diagnosis, autism can be treated through artificial intelligence using various methods. In this article, by using four datasets and gathering them with the federated learning method and diagnosing them with the support vector classifier method, the early diagnosis of this disorder has been discussed. In this method, we have achieved 99% accuracy for predicting autism spectrum disorder and we have achieved 13% improvement in the results.

Long-term time series forecasting (LTSF) is a challenging task that has been investigated in various domains such as finance investment, health care, traffic, and weather forecasting. In recent years, Linear-based LTSF models showed better performance, pointing out the problem of Transformer-based approaches causing temporal information loss. However, Linear-based approach has also limitations that the model is too simple to comprehensively exploit the characteristics of the dataset. To solve these limitations, we propose LTSF-DNODE, which applies a model based on linear ordinary differential equations (ODEs) and a time series decomposition method according to data statistical characteristics. We show that LTSF-DNODE outperforms the baselines on various real-world datasets. In addition, for each dataset, we explore the impacts of regularization in the neural ordinary differential equation (NODE) framework.

We propose a robust and reliable evaluation metric for generative models by introducing topological and statistical treatments for rigorous support estimation. Existing metrics, such as Inception Score (IS), Frechet Inception Distance (FID), and the variants of Precision and Recall (P&R), heavily rely on supports that are estimated from sample features. However, the reliability of their estimation has not been seriously discussed (and overlooked) even though the quality of the evaluation entirely depends on it. In this paper, we propose Topological Precision and Recall (TopP&R, pronounced 'topper'), which provides a systematic approach to estimating supports, retaining only topologically and statistically important features with a certain level of confidence. This not only makes TopP&R strong for noisy features, but also provides statistical consistency. Our theoretical and experimental results show that TopP&R is robust to outliers and non-independent and identically distributed (Non-IID) perturbations, while accurately capturing the true trend of change in samples. To the best of our knowledge, this is the first evaluation metric focused on the robust estimation of the support and provides its statistical consistency under noise.

The evolution towards a more distributed and interconnected grid necessitates large-scale decision-making within strict temporal constraints. Machine learning (ML) paradigms have demonstrated significant potential in improving the efficacy of optimization processes. However, the feasibility of solutions derived from ML models continues to pose challenges. It's imperative that ML models produce solutions that are attainable and realistic within the given system constraints of power systems. To address the feasibility issue and expedite the solution search process, we proposed LOOP-LC 2.0(Learning to Optimize the Optimization Process with Linear Constraints version 2.0) as a learning-based approach for solving the power dispatch problem. A notable advantage of the LOOP-LC 2.0 framework is its ability to ensure near-optimality and strict feasibility of solutions without depending on computationally intensive post-processing procedures, thus eliminating the need for iterative processes. At the heart of the LOOP-LC 2.0 model lies the newly proposed generalized gauge map method, capable of mapping any infeasible solution to a feasible point within the linearly-constrained domain. The proposed generalized gauge map method improves the traditional gauge map by exhibiting reduced sensitivity to input variances while increasing search speeds significantly. Utilizing the IEEE-200 test case as a benchmark, we demonstrate the effectiveness of the LOOP-LC 2.0 methodology, confirming its superior performance in terms of training speed, computational time, optimality, and solution feasibility compared to existing methodologies.

Black-box variational inference performance is sometimes hindered by the use of gradient estimators with high variance. This variance comes from two sources of randomness: Data subsampling and Monte Carlo sampling. While existing control variates only address Monte Carlo noise, and incremental gradient methods typically only address data subsampling, we propose a new "joint" control variate that jointly reduces variance from both sources of noise. This significantly reduces gradient variance, leading to faster optimization in several applications.

We conjecture that hidden state vectors corresponding to individual input tokens encode information sufficient to accurately predict several tokens ahead. More concretely, in this paper we ask: Given a hidden (internal) representation of a single token at position $t$ in an input, can we reliably anticipate the tokens that will appear at positions $\geq t + 2$? To test this, we measure linear approximation and causal intervention methods in GPT-J-6B to evaluate the degree to which individual hidden states in the network contain signal rich enough to predict future hidden states and, ultimately, token outputs. We find that, at some layers, we can approximate a model's output with more than 48% accuracy with respect to its prediction of subsequent tokens through a single hidden state. Finally we present a "Future Lens" visualization that uses these methods to create a new view of transformer states.

We present a latent variable model for classification that provides a novel probabilistic interpretation of neural network softmax classifiers. We derive a variational objective to train the model, analogous to the evidence lower bound (ELBO) used to train variational auto-encoders, that generalises the cross-entropy loss used to train classification models. Treating inputs to the softmax layer as samples of a latent variable, our abstracted perspective reveals a potential inconsistency between their anticipated distribution, required for accurate label predictions to be output, and the empirical distribution found in practice. We augment the variational objective to mitigate such inconsistency and encourage a chosen latent distribution, instead of the implicit assumption in off-the-shelf softmax classifiers. Overall, we provide new theoretical insight into the inner workings of widely-used softmax classification. Empirical evaluation on image and text classification datasets demonstrates that our proposed approach, variational classification, maintains classification accuracy while the reshaped latent space improves other desirable properties of a classifier, such as calibration, adversarial robustness, robustness to distribution shift and sample efficiency useful in low data settings.

The strength of a supply chain is an important measure of a country's or region's technical advancement and overall competitiveness. Establishing supply chain risk assessment models for effective management and mitigation of potential risks has become increasingly crucial. As the number of businesses grows, the important relationships become more complicated and difficult to measure. This emphasizes the need of extracting relevant information from graph data. Previously, academics mostly employed knowledge inference to increase the visibility of links between nodes in the supply chain. However, they have not solved the data hunger problem of single node feature characteristics. We propose a hierarchical knowledge transferable graph neural network-based (HKTGNN) supply chain risk assessment model to address these issues. Our approach is based on current graph embedding methods for assessing corporate investment risk assessment. We embed the supply chain network corresponding to individual goods in the supply chain using the graph embedding module, resulting in a directed homogeneous graph with just product nodes. This reduces the complicated supply chain network into a basic product network. It addresses difficulties using the domain difference knowledge transferable module based on centrality, which is presented by the premise that supply chain feature characteristics may be biased in the actual world. Meanwhile, the feature complement and message passing will alleviate the data hunger problem, which is driven by domain differences. Our model outperforms in experiments on a real-world supply chain dataset. We will give an equation to prove that our comparative experiment is both effective and fair.

Motivation: In predicting HIV therapy outcomes, a critical clinical question is whether using historical information can enhance predictive capabilities compared with current or latest available data analysis. This study analyses whether historical knowledge, which includes viral mutations detected in all genotypic tests before therapy, their temporal occurrence, and concomitant viral load measurements, can bring improvements. We introduce a method to weigh mutations, considering the previously enumerated factors and the reference mutation-drug Stanford resistance tables. We compare a model encompassing history (H) with one not using it (NH). Results: The H-model demonstrates superior discriminative ability, with a higher ROC-AUC score (76.34%) than the NH-model (74.98%). Significant Wilcoxon test results confirm that incorporating historical information improves consistently predictive accuracy for treatment outcomes. The better performance of the H-model might be attributed to its consideration of latent HIV reservoirs, probably obtained when leveraging historical information. The findings emphasize the importance of temporal dynamics in mutations, offering insights into HIV infection complexities. However, our result also shows that prediction accuracy remains relatively high even when no historical information is available. Supplementary information: Supplementary material is available.

While multi-task learning (MTL) has gained significant attention in recent years, its underlying mechanisms remain poorly understood. Recent methods did not yield consistent performance improvements over single task learning (STL) baselines, underscoring the importance of gaining more profound insights about challenges specific to MTL. In our study, we challenge common assumptions in MTL in the context of STL: First, the choice of optimizer has only been mildly investigated in MTL. We show the pivotal role of common STL tools such as the Adam optimizer in MTL. We deduce the effectiveness of Adam to its partial loss-scale invariance. Second, the notion of gradient conflicts has often been phrased as a specific problem in MTL. We delve into the role of gradient conflicts in MTL and compare it to STL. For angular gradient alignment we find no evidence that this is a unique problem in MTL. We emphasize differences in gradient magnitude as the main distinguishing factor. Lastly, we compare the transferability of features learned through MTL and STL on common image corruptions, and find no conclusive evidence that MTL leads to superior transferability. Overall, we find surprising similarities between STL and MTL suggesting to consider methods from both fields in a broader context.

Contrastive Language-Image Pretraining (CLIP) models are able to capture the semantic relationship of images and texts and have enabled a wide range of applications, from image retrieval to classification. These models are trained with datasets extracted from web crawls, which are of large quantity but limited quality. This paper explores whether limited amounts higher quality data in a specific domain improve the general performance of CLIP models. To this purpose, we extract text-image data from scientific papers hosted in the arXiv and PubMed Central repositories. Experiments on small-scale CLIP models (ViT B/32) show that model performance increases on average, but only moderately. This result indicates that using the data sources considered in the paper to train large-scale CLIP models is a worthwile research direction.

While large language models (LLMs) have enabled learning knowledge from the pre-training corpora, the acquired knowledge may be fundamentally incorrect or outdated over time, which necessitates rectifying the knowledge of the language model (LM) after the training. A promising approach involves employing a hyper-network to generate parameter shift, whereas existing hyper-networks suffer from inferior scalability in synchronous editing operation amount. To mitigate the problem, we propose the MAssive Language Model Editing Network (MALMEN), which formulates the parameter shift aggregation as the least square problem, subsequently updating the LM parameters using the normal equation. To accommodate editing multiple facts simultaneously with limited memory budgets, we separate the computation on the hyper-network and LM, enabling arbitrary batch size on both neural networks. Our method is evaluated by editing up to thousands of facts on LMs with different architectures, i.e., BERT-base, GPT-2, T5-XL (2.8B), and GPT-J (6B), across various knowledge-intensive NLP tasks, i.e., closed book fact-checking and question answering. Remarkably, MALMEN is capable of editing hundreds of times more facts than strong baselines with the identical hyper-network architecture and outperforms editor specifically designed for GPT. Our code is available at https://github.com/ChenmienTan/malmen.

Navigation is a complex skill with a long history of research in animals and humans. In this work, we simulate the Morris Water Maze in 2D to train deep reinforcement learning agents. We perform automatic classification of navigation strategies, analyze the distribution of strategies used by artificial agents, and compare them with experimental data to show similar learning dynamics as those seen in humans and rodents. We develop environment-specific auxiliary tasks and examine factors affecting their usefulness. We suggest that the most beneficial tasks are potentially more biologically feasible for real agents to use. Lastly, we explore the development of internal representations in the activations of artificial agent neural networks. These representations resemble place cells and head-direction cells found in mouse brains, and their presence has correlation to the navigation strategies that artificial agents employ.

Policy-Space Response Oracles (PSRO) is an influential algorithm framework for approximating a Nash Equilibrium (NE) in multi-agent non-transitive games. Many previous studies have been trying to promote policy diversity in PSRO. A major weakness in existing diversity metrics is that a more diverse (according to their diversity metrics) population does not necessarily mean (as we proved in the paper) a better approximation to a NE. To alleviate this problem, we propose a new diversity metric, the improvement of which guarantees a better approximation to a NE. Meanwhile, we develop a practical and well-justified method to optimize our diversity metric using only state-action samples. By incorporating our diversity regularization into the best response solving in PSRO, we obtain a new PSRO variant, Policy Space Diversity PSRO (PSD-PSRO). We present the convergence property of PSD-PSRO. Empirically, extensive experiments on various games demonstrate that PSD-PSRO is more effective in producing significantly less exploitable policies than state-of-the-art PSRO variants.

Deterministic chaos permits a precise notion of a "perfect measurement" as one that, when obtained repeatedly, captures all of the information created by the system's evolution with minimal redundancy. Finding an optimal measurement is challenging, and has generally required intimate knowledge of the dynamics in the few cases where it has been done. We establish an equivalence between a perfect measurement and a variant of the information bottleneck. As a consequence, we can employ machine learning to optimize measurement processes that efficiently extract information from trajectory data. We obtain approximately optimal measurements for multiple chaotic maps and lay the necessary groundwork for efficient information extraction from general time series.

The Geometric Algebra Transformer (GATr) is a versatile architecture for geometric deep learning based on projective geometric algebra. We generalize this architecture into a blueprint that allows one to construct a scalable transformer architecture given any geometric (or Clifford) algebra. We study versions of this architecture for Euclidean, projective, and conformal algebras, all of which are suited to represent 3D data, and evaluate them in theory and practice. The simplest Euclidean architecture is computationally cheap, but has a smaller symmetry group and is not as sample-efficient, while the projective model is not sufficiently expressive. Both the conformal algebra and an improved version of the projective algebra define powerful, performant architectures.

The recent popularity of text-to-image diffusion models (DM) can largely be attributed to the intuitive interface they provide to users. The intended generation can be expressed in natural language, with the model producing faithful interpretations of text prompts. However, expressing complex or nuanced ideas in text alone can be difficult. To ease image generation, we propose MultiFusion that allows one to express complex and nuanced concepts with arbitrarily interleaved inputs of multiple modalities and languages. MutliFusion leverages pre-trained models and aligns them for integration into a cohesive system, thereby avoiding the need for extensive training from scratch. Our experimental results demonstrate the efficient transfer of capabilities from individual modules to the downstream model. Specifically, the fusion of all independent components allows the image generation module to utilize multilingual, interleaved multimodal inputs despite being trained solely on monomodal data in a single language.

Existing score-distilling text-to-3D generation techniques, despite their considerable promise, often encounter the view inconsistency problem. One of the most notable issues is the Janus problem, where the most canonical view of an object (\textit{e.g}., face or head) appears in other views. In this work, we explore existing frameworks for score-distilling text-to-3D generation and identify the main causes of the view inconsistency problem -- the embedded bias of 2D diffusion models. Based on these findings, we propose two approaches to debias the score-distillation frameworks for view-consistent text-to-3D generation. Our first approach, called score debiasing, involves cutting off the score estimated by 2D diffusion models and gradually increasing the truncation value throughout the optimization process. Our second approach, called prompt debiasing, identifies conflicting words between user prompts and view prompts using a language model, and adjusts the discrepancy between view prompts and the viewing direction of an object. Our experimental results show that our methods improve the realism of the generated 3D objects by significantly reducing artifacts and achieve a good trade-off between faithfulness to the 2D diffusion models and 3D consistency with little overhead. Our project page is available at~\url{https://susunghong.github.io/Debiased-Score-Distillation-Sampling/}.

Recent diagnostic datasets on compositional generalization, such as SCAN (Lake and Baroni, 2018) and COGS (Kim and Linzen, 2020), expose severe problems in models trained from scratch on these datasets. However, in contrast to this poor performance, state-of-the-art models trained on larger and more general datasets show better generalization ability. In this work, to reconcile this inconsistency, we conduct an empirical analysis by training Transformer models on a variety of training sets with different data factors, including dataset scale, pattern complexity, example difficulty, etc. First, we show that increased dataset complexity can lead to better generalization behavior on multiple different generalization challenges. To further understand this improvement, we show two axes of the benefit from more complex datasets: they provide more diverse examples so compositional understanding becomes more effective, and they also prevent ungeneralizable memorization of the examples due to reduced example repetition frequency. Finally, we explore how training examples of different difficulty levels influence generalization differently. On synthetic datasets, simple examples invoke stronger compositionality than hard examples do. On larger-scale real language datasets, while hard examples become more important potentially to ensure decent data coverage, a balanced mixture of simple and hard examples manages to induce the strongest generalizability. The code and data for this work are available at https://github.com/owenzx/data4comp

A generative AI model can generate extremely realistic-looking content, posing growing challenges to the authenticity of information. To address the challenges, watermark has been leveraged to detect AI-generated content. Specifically, a watermark is embedded into an AI-generated content before it is released. A content is detected as AI-generated if a similar watermark can be decoded from it. In this work, we perform a systematic study on the robustness of such watermark-based AI-generated content detection. We focus on AI-generated images. Our work shows that an attacker can post-process a watermarked image via adding a small, human-imperceptible perturbation to it, such that the post-processed image evades detection while maintaining its visual quality. We show the effectiveness of our attack both theoretically and empirically. Moreover, to evade detection, our adversarial post-processing method adds much smaller perturbations to AI-generated images and thus better maintain their visual quality than existing popular post-processing methods such as JPEG compression, Gaussian blur, and Brightness/Contrast. Our work shows the insufficiency of existing watermark-based detection of AI-generated content, highlighting the urgent needs of new methods. Our code is publicly available: https://github.com/zhengyuan-jiang/WEvade.

Electronic theses and dissertations (ETDs) have been proposed, advocated, and generated for more than 25 years. Although ETDs are hosted by commercial or institutional digital library repositories, they are still an understudied type of scholarly big data, partially because they are usually longer than conference proceedings and journals. Segmenting ETDs will allow researchers to study sectional content. Readers can navigate to particular pages of interest, discover, and explore the content buried in these long documents. Most existing frameworks on document page classification are designed for classifying general documents and perform poorly on ETDs. In this paper, we propose ETDPC. Its backbone is a two-stream multimodal model with a cross-attention network to classify ETD pages into 13 categories. To overcome the challenge of imbalanced labeled samples, we augmented data for minority categories and employed a hierarchical classifier. ETDPC outperforms the state-of-the-art models in all categories, achieving an F1 of 0.84 -- 0.96 for 9 out of 13 categories. We also demonstrated its data efficiency. The code and data can be found on GitHub (https://github.com/lamps-lab/ETDMiner/tree/master/etd_segmentation).

Closed drafting or "pick and pass" is a popular game mechanic where each round players select a card or other playable element from their hand and pass the rest to the next player. In this paper, we establish first-principle interpretability, generalizability, and memory benchmarks for studying model-free reinforcement learning (RL) algorithms playing closed drafting games. Specifically in a popular family of closed drafting games called "Sushi Go Party!", in which we achieve state-of-the-art performance. We fit decision rules to interpret the strategy of trained RL agents and compare these to the ranking preferences of different types of human players, finding easily understandable explanations of the disparate performance of RL agents in this environment. As Sushi Go Party! can be expressed as a set of closely-related games based on the set of cards in play, we quantify the generalizability of RL models trained on various sets of cards, establishing key trends between performance and the set distance between the train and evaluation game configurations. Using the explicitly calculable memory of other player's hands in closed drafting games, we create measures of the ability of RL models to learn memory.

Position encoding recently has shown effective in the transformer architecture. It enables valuable supervision for dependency modeling between elements at different positions of the sequence. In this paper, we first investigate various methods to integrate positional information into the learning process of transformer-based language models. Then, we propose a novel method named Rotary Position Embedding(RoPE) to effectively leverage the positional information. Specifically, the proposed RoPE encodes the absolute position with a rotation matrix and meanwhile incorporates the explicit relative position dependency in self-attention formulation. Notably, RoPE enables valuable properties, including the flexibility of sequence length, decaying inter-token dependency with increasing relative distances, and the capability of equipping the linear self-attention with relative position encoding. Finally, we evaluate the enhanced transformer with rotary position embedding, also called RoFormer, on various long text classification benchmark datasets. Our experiments show that it consistently overcomes its alternatives. Furthermore, we provide a theoretical analysis to explain some experimental results. RoFormer is already integrated into Huggingface: \url{https://huggingface.co/docs/transformers/model_doc/roformer}.

This paper is focused on multiuser load modulation arrays (MU-LMAs) which are attractive due to their low system complexity and reduced cost for millimeter wave (mmWave) multi-input multi-output (MIMO) systems. The existing precoding algorithm for downlink MU-LMA relies on a sub-array structured (SAS) transmitter which may suffer from decreased degrees of freedom and complex system configuration. Furthermore, a conventional LMA codebook with codewords uniformly distributed on a hypersphere may not be channel-adaptive and may lead to increased signal detection complexity. In this paper, we conceive an MU-LMA system employing a full-array structured (FAS) transmitter and propose two algorithms accordingly. The proposed FAS-based system addresses the SAS structural problems and can support larger numbers of users. For LMA-imposed constant-power downlink precoding, we propose an FAS-based normalized block diagonalization (FAS-NBD) algorithm. However, the forced normalization may result in performance degradation. This degradation, together with the aforementioned codebook design problems, is difficult to solve analytically. This motivates us to propose a Deep Learning-enhanced (FAS-DL-NBD) algorithm for adaptive codebook design and codebook-independent decoding. It is shown that the proposed algorithms are robust to imperfect knowledge of channel state information and yield excellent error performance. Moreover, the FAS-DL-NBD algorithm enables signal detection with low complexity as the number of bits per codeword increases.

Transformers are widely used deep learning architectures. Existing transformers are mostly designed for sequences (texts or time series), images or videos, and graphs. This paper proposes a novel transformer model for massive (up to a million) point samples in continuous space. Such data are ubiquitous in environment sciences (e.g., sensor observations), numerical simulations (e.g., particle-laden flow, astrophysics), and location-based services (e.g., POIs and trajectories). However, designing a transformer for massive spatial points is non-trivial due to several challenges, including implicit long-range and multi-scale dependency on irregular points in continuous space, a non-uniform point distribution, the potential high computational costs of calculating all-pair attention across massive points, and the risks of over-confident predictions due to varying point density. To address these challenges, we propose a new hierarchical spatial transformer model, which includes multi-resolution representation learning within a quad-tree hierarchy and efficient spatial attention via coarse approximation. We also design an uncertainty quantification branch to estimate prediction confidence related to input feature noise and point sparsity. We provide a theoretical analysis of computational time complexity and memory costs. Extensive experiments on both real-world and synthetic datasets show that our method outperforms multiple baselines in prediction accuracy and our model can scale up to one million points on one NVIDIA A100 GPU. The code is available at \url{https://github.com/spatialdatasciencegroup/HST}.  ( 2 min )

We introduce the text-to-instrument task, which aims at generating sample-based musical instruments based on textual prompts. Accordingly, we propose InstrumentGen, a model that extends a text-prompted generative audio framework to condition on instrument family, source type, pitch (across an 88-key spectrum), velocity, and a joint text/audio embedding. Furthermore, we present a differentiable loss function to evaluate the intra-instrument timbral consistency of sample-based instruments. Our results establish a foundational text-to-instrument baseline, extending research in the domain of automatic sample-based instrument generation.  ( 2 min )

Federated Learning (FL) is a machine learning paradigm to conduct collaborative learning among clients on a joint model. The primary goal is to share clients' local training parameters with an integrating server while preserving their privacy. This method permits to exploit the potential of massive mobile users' data for the benefit of machine learning models' performance while keeping sensitive data on local devices. On the downside, FL raises security and privacy concerns that have just started to be studied. To address some of the key threats in FL, researchers have proposed to use secure aggregation methods (e.g. homomorphic encryption, secure multiparty computation, etc.). These solutions improve some security and privacy metrics, but at the same time bring about other serious threats such as poisoning attacks, backdoor attacks, and free running attacks. This paper proposes a new defense method against poisoning attacks in FL called SaFL (Sybil-aware Federated Learning) that minimizes the effect of sybils with a novel time-variant aggregation scheme.  ( 2 min )

Healthcare clinics regularly encounter dynamic data that changes due to variations in patient populations, treatment policies, medical devices, and emerging disease patterns. Deep learning models can suffer from catastrophic forgetting when fine-tuned in such scenarios, causing poor performance on previously learned tasks. Continual learning allows learning on new tasks without performance drop on previous tasks. In this work, we investigate the performance of continual learning models on four different medical imaging scenarios involving ten classification datasets from diverse modalities, clinical specialties, and hospitals. We implement various continual learning approaches and evaluate their performance in these scenarios. Our results demonstrate that a single model can sequentially learn new tasks from different specialties and achieve comparable performance to naive methods. These findings indicate the feasibility of recycling or sharing models across the same or different medical specialties, offering another step towards the development of general-purpose medical imaging AI that can be shared across institutions.  ( 2 min )

The stunning qualitative improvement of recent text-to-image models has led to their widespread attention and adoption. However, we lack a comprehensive quantitative understanding of their capabilities and risks. To fill this gap, we introduce a new benchmark, Holistic Evaluation of Text-to-Image Models (HEIM). Whereas previous evaluations focus mostly on text-image alignment and image quality, we identify 12 aspects, including text-image alignment, image quality, aesthetics, originality, reasoning, knowledge, bias, toxicity, fairness, robustness, multilinguality, and efficiency. We curate 62 scenarios encompassing these aspects and evaluate 26 state-of-the-art text-to-image models on this benchmark. Our results reveal that no single model excels in all aspects, with different models demonstrating different strengths. We release the generated images and human evaluation results for full transparency at https://crfm.stanford.edu/heim/v1.1.0 and the code at https://github.com/stanford-crfm/helm, which is integrated with the HELM codebase.  ( 2 min )

Recent advancements in Large Language Models (LLMs) have revolutionized decision-making by breaking down complex problems into more manageable language sequences referred to as ``thoughts''. An effective thought design should consider three key perspectives: performance, efficiency, and flexibility. However, existing thought can at most exhibit two of these attributes. To address these limitations, we introduce a novel thought prompting approach called ``Everything of Thoughts'' (XoT) to defy the law of ``Penrose triangle of existing thought paradigms. XoT leverages pretrained reinforcement learning and Monte Carlo Tree Search (MCTS) to incorporate external domain knowledge into thoughts, thereby enhancing LLMs' capabilities and enabling them to generalize to unseen problems efficiently. Through the utilization of the MCTS-LLM collaborative thought revision framework, this approach autonomously produces high-quality comprehensive cognitive mappings with minimal LLM interactions. Additionally, XoT empowers LLMs to engage in unconstrained thinking, allowing for flexible cognitive mappings for problems with multiple solutions.  ( 2 min )

Most deep neural networks are trained under fixed network architectures and require retraining when the architecture changes. If expanding the network's size is needed, it is necessary to retrain from scratch, which is expensive. To avoid this, one can grow from a small network by adding random weights over time to gradually achieve the target network size. However, this naive approach falls short in practice as it brings too much noise to the growing process. Prior work tackled this issue by leveraging the already learned weights and training data for generating new weights through conducting a computationally expensive analysis step. In this paper, we introduce MixtureGrowth, a new approach to growing networks that circumvents the initialization overhead in prior work. Before growing, each layer in our model is generated with a linear combination of parameter templates. Newly grown layer weights are generated by using a new linear combination of existing templates for a layer. On one hand, these templates are already trained for the task, providing a strong initialization. On the other, the new coefficients provide flexibility for the added layer weights to learn something new. We show that our approach boosts top-1 accuracy over the state-of-the-art by 2-2.5% on CIFAR-100 and ImageNet datasets, while achieving comparable performance with fewer FLOPs to a larger network trained from scratch. Code is available at https://github.com/chaudatascience/mixturegrowth.  ( 3 min )

Distributed optimization has experienced a significant surge in interest due to its wide-ranging applications in distributed learning and adaptation. While various scenarios, such as shared-memory, local-memory, and consensus-based approaches, have been extensively studied in isolation, there remains a need for further exploration of their interconnections. This paper specifically concentrates on a scenario where agents collaborate toward a unified mission while potentially having distinct tasks. Each agent's actions can potentially impact other agents through interactions. Within this context, the objective for the agents is to optimize their local parameters based on the aggregate of local reward functions, where only local zeroth-order oracles are available. Notably, the learning process is asynchronous, meaning that agents update and query their zeroth-order oracles asynchronously while communicating with other agents subject to bounded but possibly random communication delays. This paper presents theoretical convergence analyses and establishes a convergence rate for the proposed approach. Furthermore, it addresses the relevant issue of deep learning-based resource allocation in communication networks and conducts numerical experiments in which agents, acting as transmitters, collaboratively train their individual (possibly unique) policies to maximize a common performance metric.  ( 2 min )

In the paper, we propose a class of efficient adaptive bilevel methods based on mirror descent for nonconvex bilevel optimization, where its upper-level problem is nonconvex possibly with nonsmooth regularization, and its lower-level problem is also nonconvex while satisfies Polyak-{\L}ojasiewicz (PL) condition. To solve these deterministic bilevel problems, we present an efficient adaptive projection-aid gradient (i.e., AdaPAG) method based on mirror descent, and prove that it obtains the best known gradient complexity of $O(\epsilon^{-1})$ for finding an $\epsilon$-stationary solution of nonconvex bilevel problems. To solve these stochastic bilevel problems, we propose an efficient adaptive stochastic projection-aid gradient (i.e., AdaVSPAG) methods based on mirror descent and variance-reduced techniques, and prove that it obtains the best known gradient complexity of $O(\epsilon^{-3/2})$ for finding an $\epsilon$-stationary solution. Since the PL condition relaxes the strongly convex, our algorithms can be used to nonconvex strongly-convex bilevel optimization. Theoretically, we provide a useful convergence analysis framework for our methods under some mild conditions, and prove that our methods have a fast convergence rate of $O(\frac{1}{T})$, where $T$ denotes the number of iterations.  ( 2 min )

Hamiltonian simulation is believed to be one of the first tasks where quantum computers can yield a quantum advantage. One of the most popular methods of Hamiltonian simulation is Trotterization, which makes use of the approximation $e^{i\sum_jA_j}\sim \prod_je^{iA_j}$ and higher-order corrections thereto. However, this leaves open the question of the order of operations (i.e. the order of the product over $j$, which is known to affect the quality of approximation). In some cases this order is fixed by the desire to minimise the error of approximation; when it is not the case, we propose that the order can be chosen to optimize compilation to a native quantum architecture. This presents a new compilation problem -- order-agnostic quantum circuit compilation -- which we prove is NP-hard in the worst case. In lieu of an easily-computable exact solution, we turn to methods of heuristic optimization of compilation. We focus on reinforcement learning due to the sequential nature of the compilation task, comparing it to simulated annealing and Monte Carlo tree search. While two of the methods outperform a naive heuristic, reinforcement learning clearly outperforms all others, with a gain of around 12% with respect to the second-best method and of around 50% compared to the naive heuristic in terms of the gate count. We further test the ability of RL to generalize across instances of the compilation problem, and find that a single learner is able to solve entire problem families. This demonstrates the ability of machine learning techniques to provide assistance in an order-agnostic quantum compilation task.  ( 3 min )

Recent AI research has significantly reduced the barriers to apply AI, but the process of setting up the necessary tools and frameworks can still be a challenge. While AI-as-a-Service platforms have emerged to simplify the training and deployment of AI models, they still fall short of achieving true democratization of AI. In this paper, we aim to address this gap by comparing several popular AI-as-a-Service platforms and identifying the key requirements for a platform that can achieve true democratization of AI. Our analysis highlights the need for self-hosting options, high scalability, and openness. To address these requirements, we propose our approach: the "Open Space for Machine Learning" platform. Our platform is built on cutting-edge technologies such as Kubernetes, Kubeflow Pipelines, and Ludwig, enabling us to overcome the challenges of democratizing AI. We argue that our approach is more comprehensive and effective in meeting the requirements of democratizing AI than existing AI-as-a-Service platforms.  ( 2 min )

Structural Health Monitoring (SHM) is vital for evaluating structural condition, aiming to detect damage through sensor data analysis. It aligns with predictive maintenance in modern industry, minimizing downtime and costs by addressing potential structural issues. Various machine learning techniques have been used to extract valuable information from vibration data, often relying on prior structural knowledge. This research introduces an innovative approach to structural damage detection, utilizing a new Convolutional Neural Network (CNN) algorithm. In order to extract deep spatial features from time series data, CNNs are taught to recognize long-term temporal connections. This methodology combines spatial and temporal features, enhancing discrimination capabilities when compared to methods solely reliant on deep spatial features. Time series data are divided into two categories using the proposed neural network: undamaged and damaged. To validate its efficacy, the method's accuracy was tested using a benchmark dataset derived from a three-floor structure at Los Alamos National Laboratory (LANL). The outcomes show that the new CNN algorithm is very accurate in spotting structural degradation in the examined structure.  ( 2 min )

Learning with rejection is an important framework that can refrain from making predictions to avoid critical mispredictions by balancing between prediction and rejection. Previous studies on cost-based rejection only focused on the classification setting, which cannot handle the continuous and infinite target space in the regression setting. In this paper, we investigate a novel regression problem called regression with cost-based rejection, where the model can reject to make predictions on some examples given certain rejection costs. To solve this problem, we first formulate the expected risk for this problem and then derive the Bayes optimal solution, which shows that the optimal model should reject to make predictions on the examples whose variance is larger than the rejection cost when the mean squared error is used as the evaluation metric. Furthermore, we propose to train the model by a surrogate loss function that considers rejection as binary classification and we provide conditions for the model consistency, which implies that the Bayes optimal solution can be recovered by our proposed surrogate loss. Extensive experiments demonstrate the effectiveness of our proposed method.  ( 2 min )

The electrocardiogram (ECG) is a dependable instrument for assessing the function of the cardiovascular system. There has recently been much emphasis on precisely classifying ECGs. While ECG situations have numerous similarities, little attention has been paid to categorizing ECGs using graph neural networks. In this study, we offer three distinct techniques for classifying heartbeats using deep graph neural networks to classify the ECG signals accurately. We suggest using different methods to extract topological features from the ECG signal and then using a branch of the graph neural network named graph isomorphism network for classifying the ECGs. On the PTB Diagnostics data set, we tested the three proposed techniques. According to the findings, the three proposed techniques are capable of making arrhythmia classification predictions with the accuracy of 99.38, 98.76, and 91.93 percent, respectively.  ( 2 min )

We consider the problem of learning a graph modeling the statistical relations of the $d$ variables of a dataset with $n$ samples $X \in \mathbb{R}^{n \times d}$. Standard approaches amount to searching for a precision matrix $\Theta$ representative of a Gaussian graphical model that adequately explains the data. However, most maximum likelihood-based estimators usually require storing the $d^{2}$ values of the empirical covariance matrix, which can become prohibitive in a high-dimensional setting. In this work, we adopt a compressive viewpoint and aim to estimate a sparse $\Theta$ from a sketch of the data, i.e. a low-dimensional vector of size $m \ll d^{2}$ carefully designed from $X$ using nonlinear random features. Under certain assumptions on the spectrum of $\Theta$ (or its condition number), we show that it is possible to estimate it from a sketch of size $m=\Omega((d+2k)\log(d))$ where $k$ is the maximal number of edges of the underlying graph. These information-theoretic guarantees are inspired by compressed sensing theory and involve restricted isometry properties and instance optimal decoders. We investigate the possibility of achieving practical recovery with an iterative algorithm based on the graphical lasso, viewed as a specific denoiser. We compare our approach and graphical lasso on synthetic datasets, demonstrating its favorable performance even when the dataset is compressed.  ( 2 min )

Developing aerial robots that can both safely navigate and execute assigned mission without any human intervention - i.e., fully autonomous aerial mobility of passengers and goods - is the larger vision that guides the research, design, and development efforts in the aerial autonomy space. However, it is highly challenging to concurrently operationalize all types of aerial vehicles that are operating fully autonomously sharing the airspace. Full autonomy of the aerial transportation sector includes several aspects, such as design of the technology that powers the vehicles, operations of multi-agent fleets, and process of certification that meets stringent safety requirements of aviation sector. Thereby, Autonomous Advanced Aerial Mobility is still a vague term and its consequences for researchers and professionals are ambiguous. To address this gap, we present a comprehensive perspective on the emerging field of autonomous advanced aerial mobility, which involves the use of unmanned aerial vehicles (UAVs) and electric vertical takeoff and landing (eVTOL) aircraft for various applications, such as urban air mobility, package delivery, and surveillance. The article proposes a scalable and extensible autonomy framework consisting of four main blocks: sensing, perception, planning, and controls. Furthermore, the article discusses the challenges and opportunities in multi-agent fleet operations and management, as well as the testing, validation, and certification aspects of autonomous aerial systems. Finally, the article explores the potential of monolithic models for aerial autonomy and analyzes their advantages and limitations. The perspective aims to provide a holistic picture of the autonomous advanced aerial mobility field and its future directions.  ( 3 min )

This study presents an innovative method for predicting the market value of professional soccer players using explainable machine learning models. Using a dataset curated from the FIFA website, we employ an ensemble machine learning approach coupled with Shapley Additive exPlanations (SHAP) to provide detailed explanations of the models' predictions. The GBDT model achieves the highest mean R-Squared (0.8780) and the lowest mean Root Mean Squared Error (3,221,632.175), indicating its superior performance among the evaluated models. Our analysis reveals that specific skills such as ball control, short passing, finishing, interceptions, dribbling, and tackling are paramount within the skill dimension, whereas sprint speed and acceleration are critical in the fitness dimension, and reactions are preeminent in the cognitive dimension. Our results offer a more accurate, objective, and consistent framework for market value estimation, presenting useful insights for managerial decisions in player transfers.  ( 2 min )

In modern neuroscience, functional magnetic resonance imaging (fMRI) has been a crucial and irreplaceable tool that provides a non-invasive window into the dynamics of whole-brain activity. Nevertheless, fMRI is limited by hemodynamic blurring as well as high cost, immobility, and incompatibility with metal implants. Electroencephalography (EEG) is complementary to fMRI and can directly record the cortical electrical activity at high temporal resolution, but has more limited spatial resolution and is unable to recover information about deep subcortical brain structures. The ability to obtain fMRI information from EEG would enable cost-effective, imaging across a wider set of brain regions. Further, beyond augmenting the capabilities of EEG, cross-modality models would facilitate the interpretation of fMRI signals. However, as both EEG and fMRI are high-dimensional and prone to artifacts, it is currently challenging to model fMRI from EEG. To address this challenge, we propose a novel architecture that can predict fMRI signals directly from multi-channel EEG without explicit feature engineering. Our model achieves this by implementing a Sinusoidal Representation Network (SIREN) to learn frequency information in brain dynamics from EEG, which serves as the input to a subsequent encoder-decoder to effectively reconstruct the fMRI signal from a specific brain region. We evaluate our model using a simultaneous EEG-fMRI dataset with 8 subjects and investigate its potential for predicting subcortical fMRI signals. The present results reveal that our model outperforms a recent state-of-the-art model, and indicates the potential of leveraging periodic activation functions in deep neural networks to model functional neuroimaging data.  ( 3 min )

We propose a novel value approximation method, namely Eigensubspace Regularized Critic (ERC) for deep reinforcement learning (RL). ERC is motivated by an analysis of the dynamics of Q-value approximation error in the Temporal-Difference (TD) method, which follows a path defined by the 1-eigensubspace of the transition kernel associated with the Markov Decision Process (MDP). It reveals a fundamental property of TD learning that has remained unused in previous deep RL approaches. In ERC, we propose a regularizer that guides the approximation error tending towards the 1-eigensubspace, resulting in a more efficient and stable path of value approximation. Moreover, we theoretically prove the convergence of the ERC method. Besides, theoretical analysis and experiments demonstrate that ERC effectively reduces the variance of value functions. Among 26 tasks in the DMControl benchmark, ERC outperforms state-of-the-art methods for 20. Besides, it shows significant advantages in Q-value approximation and variance reduction. Our code is available at https://sites.google.com/view/erc-ecml23/.

We tackle the challenge of robotic bin packing with irregular objects, such as groceries. Given the diverse physical attributes of these objects and the complex constraints governing their placement and manipulation, employing preprogrammed strategies becomes unfeasible. Our approach is to learn directly from expert demonstrations in order to extract implicit task knowledge and strategies to ensure safe object positioning, efficient use of space, and the generation of human-like behaviors that enhance human-robot trust. We rely on human demonstrations to learn a Markov chain for predicting the object packing sequence for a given set of items and then compare it with human performance. Our experimental results show that the model outperforms human performance by generating sequence predictions that humans classify as human-like more frequently than human-generated sequences. The human demonstrations were collected using our proposed VR platform, BoxED, which is a box packaging environment for simulating real-world objects and scenarios for fast and streamlined data collection with the purpose of teaching robots. We collected data from 43 participants packing a total of 263 boxes with supermarket-like objects, yielding 4644 object manipulations. Our VR platform can be easily adapted to new scenarios and objects, and is publicly available, alongside our dataset, at https://github.com/andrejfsantos4/BoxED.

Video description entails automatically generating coherent natural language sentences that narrate the content of a given video. We introduce CLearViD, a transformer-based model for video description generation that leverages curriculum learning to accomplish this task. In particular, we investigate two curriculum strategies: (1) progressively exposing the model to more challenging samples by gradually applying a Gaussian noise to the video data, and (2) gradually reducing the capacity of the network through dropout during the training process. These methods enable the model to learn more robust and generalizable features. Moreover, CLearViD leverages the Mish activation function, which provides non-linearity and non-monotonicity and helps alleviate the issue of vanishing gradients. Our extensive experiments and ablation studies demonstrate the effectiveness of the proposed model. The results on two datasets, namely ActivityNet Captions and YouCook2, show that CLearViD significantly outperforms existing state-of-the-art models in terms of both accuracy and diversity metrics.  ( 2 min )

In this paper we offer a new perspective on the well established agglomerative clustering algorithm, focusing on recovery of hierarchical structure. We recommend a simple variant of the standard algorithm, in which clusters are merged by maximum average dot product and not, for example, by minimum distance or within-cluster variance. We demonstrate that the tree output by this algorithm provides a bona fide estimate of generative hierarchical structure in data, under a generic probabilistic graphical model. The key technical innovations are to understand how hierarchical information in this model translates into tree geometry which can be recovered from data, and to characterise the benefits of simultaneously growing sample size and data dimension. We demonstrate superior tree recovery performance with real data over existing approaches such as UPGMA, Ward's method, and HDBSCAN.

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there were finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, many real-world data are not naturally posed in the setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions, and then convert the GPs into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is further developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications.

As a classical generative modeling approach, energy-based models have the natural advantage of flexibility in the form of the energy function. Recently, energy-based models have achieved great success in modeling high-dimensional data in computer vision and natural language processing. In line with these advancements, we build a multi-purpose energy-based probabilistic model for High Energy Physics events at the Large Hadron Collider. This framework builds on a powerful generative model and describes higher-order inter-particle interactions. It suits different encoding architectures and builds on implicit generation. As for applicational aspects, it can serve as a powerful parameterized event generator for physics simulation, a generic anomalous signal detector free from spurious correlations, and an augmented event classifier for particle identification.

We investigate the spectral properties of linear-width feed-forward neural networks, where the sample size is asymptotically proportional to network width. Empirically, we show that the spectra of weight in this high dimensional regime are invariant when trained by gradient descent for small constant learning rates; we provide a theoretical justification for this observation and prove the invariance of the bulk spectra for both conjugate and neural tangent kernels. We demonstrate similar characteristics when training with stochastic gradient descent with small learning rates. When the learning rate is large, we exhibit the emergence of an outlier whose corresponding eigenvector is aligned with the training data structure. We also show that after adaptive gradient training, where a lower test error and feature learning emerge, both weight and kernel matrices exhibit heavy tail behavior. Simple examples are provided to explain when heavy tails can have better generalizations. We exhibit different spectral properties such as invariant bulk, spike, and heavy-tailed distribution from a two-layer neural network using different training strategies, and then correlate them to the feature learning. Analogous phenomena also appear when we train conventional neural networks with real-world data. We conclude that monitoring the evolution of the spectra during training is an essential step toward understanding the training dynamics and feature learning.

In this thesis, we develop theoretical, algorithmic and experimental contributions for Machine Learning with limited labels, and more specifically for the tasks of Image Classification and Object Detection in Computer Vision. In a first contribution, we are interested in bridging the gap between theory and practice for popular Meta-Learning algorithms used in Few-Shot Classification. We make connections to Multi-Task Representation Learning, which benefits from solid theoretical foundations, to verify the best conditions for a more efficient meta-learning. Then, to leverage unlabeled data when training object detectors based on the Transformer architecture, we propose both an unsupervised pretraining and a semi-supervised learning method in two other separate contributions. For pretraining, we improve Contrastive Learning for object detectors by introducing the localization information. Finally, our semi-supervised method is the first tailored to transformer-based detectors.

To avoid failures on out-of-distribution data, recent works have sought to extract features that have an invariant or stable relationship with the label across domains, discarding "spurious" or unstable features whose relationship with the label changes across domains. However, unstable features often carry complementary information that could boost performance if used correctly in the test domain. In this work, we show how this can be done without test-domain labels. In particular, we prove that pseudo-labels based on stable features provide sufficient guidance for doing so, provided that stable and unstable features are conditionally independent given the label. Based on this theoretical insight, we propose Stable Feature Boosting (SFB), an algorithm for: (i) learning a predictor that separates stable and conditionally-independent unstable features; and (ii) using the stable-feature predictions to adapt the unstable-feature predictions in the test domain. Theoretically, we prove that SFB can learn an asymptotically-optimal predictor without test-domain labels. Empirically, we demonstrate the effectiveness of SFB on real and synthetic data.

Conditional sampling of variational autoencoders (VAEs) is needed in various applications, such as missing data imputation, but is computationally intractable. A principled choice for asymptotically exact conditional sampling is Metropolis-within-Gibbs (MWG). However, we observe that the tendency of VAEs to learn a structured latent space, a commonly desired property, can cause the MWG sampler to get "stuck" far from the target distribution. This paper mitigates the limitations of MWG: we systematically outline the pitfalls in the context of VAEs, propose two original methods that address these pitfalls, and demonstrate an improved performance of the proposed methods on a set of sampling tasks.

In this paper we address the problem of testing whether two observed trees $(t,t')$ are sampled either independently or from a joint distribution under which they are correlated. This problem, which we refer to as correlation detection in trees, plays a key role in the study of graph alignment for two correlated random graphs. Motivated by graph alignment, we investigate the conditions of existence of one-sided tests, i.e. tests which have vanishing type I error and non-vanishing power in the limit of large tree depth. For the correlated Galton-Watson model with Poisson offspring of mean $\lambda>0$ and correlation parameter $s \in (0,1)$, we identify a phase transition in the limit of large degrees at $s = \sqrt{\alpha}$, where $\alpha \sim 0.3383$ is Otter's constant. Namely, we prove that no such test exists for $s \leq \sqrt{\alpha}$, and that such a test exists whenever $s > \sqrt{\alpha}$, for $\lambda$ large enough. This result sheds new light on the graph alignment problem in the sparse regime (with $O(1)$ average node degrees) and on the performance of the MPAlign method studied in Ganassali et al. (2021), Piccioli et al. (2021), proving in particular the conjecture of Piccioli et al. (2021) that MPAlign succeeds in the partial recovery task for correlation parameter $s>\sqrt{\alpha}$ provided the average node degree $\lambda$ is large enough. As a byproduct, we identify a new family of orthogonal polynomials for the Poisson-Galton-Watson measure which enjoy remarkable properties. These polynomials may be of independent interest for a variety of problems involving graphs, trees or branching processes, beyond the scope of graph alignment.

We present a consistent and highly scalable local approach to learn the causal structure of a linear Gaussian polytree using data from interventional experiments with known intervention targets. Our methods first learn the skeleton of the polytree and then orient its edges. The output is a CPDAG representing the interventional equivalence class of the polytree of the true underlying distribution. The skeleton and orientation recovery procedures we use rely on second order statistics and low-dimensional marginal distributions. We assess the performance of our methods under different scenarios in synthetic data sets and apply our algorithm to learn a polytree in a gene expression interventional data set. Our simulation studies demonstrate that our approach is fast, has good accuracy in terms of structural Hamming distance, and handles problems with thousands of nodes.

Kernel ridge regression, KRR, is a generalization of linear ridge regression that is non-linear in the data, but linear in the parameters. Here, we introduce an equivalent formulation of the objective function of KRR, opening up both for using penalties other than the ridge penalty and for studying kernel ridge regression from the perspective of gradient descent. Using a continuous-time perspective, we derive a closed-form solution for solving kernel regression with gradient descent, something we refer to as kernel gradient flow, KGF, and theoretically bound the differences between KRR and KGF, where, for the latter, regularization is obtained through early stopping. We also generalize KRR by replacing the ridge penalty with the $\ell_1$ and $\ell_\infty$ penalties, respectively, and use the fact that analogous to the similarities between KGF and KRR, $\ell_1$ regularization and forward stagewise regression (also known as coordinate descent), and $\ell_\infty$ regularization and sign gradient descent, follow similar solution paths. We can thus alleviate the need for computationally heavy algorithms based on proximal gradient descent. We show theoretically and empirically how the $\ell_1$ and $\ell_\infty$ penalties, and the corresponding gradient-based optimization algorithms, produce sparse and robust kernel regression solutions, respectively.

Modern machine learning (ML) models have grown to a scale where training them on a single machine becomes impractical. As a result, there is a growing trend to leverage federated learning (FL) techniques to train large ML models in a distributed and collaborative manner. These models, however, when deployed on new devices, might struggle to generalize well due to domain shifts. In this context, federated domain adaptation (FDA) emerges as a powerful approach to address this challenge. Most existing FDA approaches typically focus on aligning the distributions between source and target domains by minimizing their (e.g., MMD) distance. Such strategies, however, inevitably introduce high communication overheads and can be highly sensitive to network reliability. In this paper, we introduce RF-TCA, an enhancement to the standard Transfer Component Analysis approach that significantly accelerates computation without compromising theoretical and empirical performance. Leveraging the computational advantage of RF-TCA, we further extend it to FDA setting with FedRF-TCA. The proposed FedRF-TCA protocol boasts communication complexity that is \emph{independent} of the sample size, while maintaining performance that is either comparable to or even surpasses state-of-the-art FDA methods. We present extensive experiments to showcase the superior performance and robustness (to network condition) of FedRF-TCA.

The task of community detection, which aims to partition a network into clusters of nodes to summarize its large-scale structure, has spawned the development of many competing algorithms with varying objectives. Some community detection methods are inferential, explicitly deriving the clustering objective through a probabilistic generative model, while other methods are descriptive, dividing a network according to an objective motivated by a particular application, making it challenging to compare these methods on the same scale. Here we present a solution to this problem that associates any community detection objective, inferential or descriptive, with its corresponding implicit network generative model. This allows us to compute the description length of a network and its partition under arbitrary objectives, providing a principled measure to compare the performance of different algorithms without the need for "ground truth" labels. Our approach also gives access to instances of the community detection problem that are optimal to any given algorithm, and in this way reveals intrinsic biases in popular descriptive methods, explaining their tendency to overfit. Using our framework, we compare a number of community detection methods on artificial networks, and on a corpus of over 500 structurally diverse empirical networks. We find that more expressive community detection methods exhibit consistently superior compression performance on structured data instances, without having degraded performance on a minority of situations where more specialized algorithms perform optimally. Our results undermine the implications of the "no free lunch" theorem for community detection, both conceptually and in practice, since it is confined to unstructured data instances, unlike relevant community detection problems which are structured by requirement.

Anomaly detection (AD) plays a crucial role in many safety-critical application domains. The challenge of adapting an anomaly detector to drift in the normal data distribution, especially when no training data is available for the "new normal," has led to the development of zero-shot AD techniques. In this paper, we propose a simple yet effective method called Adaptive Centered Representations (ACR) for zero-shot batch-level AD. Our approach trains off-the-shelf deep anomaly detectors (such as deep SVDD) to adapt to a set of inter-related training data distributions in combination with batch normalization, enabling automatic zero-shot generalization for unseen AD tasks. This simple recipe, batch normalization plus meta-training, is a highly effective and versatile tool. Our theoretical results guarantee the zero-shot generalization for unseen AD tasks; our empirical results demonstrate the first zero-shot AD results for tabular data and outperform existing methods in zero-shot anomaly detection and segmentation on image data from specialized domains. Code is at https://github.com/aodongli/zero-shot-ad-via-batch-norm

We consider the problem of learning a graph modeling the statistical relations of the $d$ variables of a dataset with $n$ samples $X \in \mathbb{R}^{n \times d}$. Standard approaches amount to searching for a precision matrix $\Theta$ representative of a Gaussian graphical model that adequately explains the data. However, most maximum likelihood-based estimators usually require storing the $d^{2}$ values of the empirical covariance matrix, which can become prohibitive in a high-dimensional setting. In this work, we adopt a compressive viewpoint and aim to estimate a sparse $\Theta$ from a sketch of the data, i.e. a low-dimensional vector of size $m \ll d^{2}$ carefully designed from $X$ using nonlinear random features. Under certain assumptions on the spectrum of $\Theta$ (or its condition number), we show that it is possible to estimate it from a sketch of size $m=\Omega((d+2k)\log(d))$ where $k$ is the maximal number of edges of the underlying graph. These information-theoretic guarantees are inspired by compressed sensing theory and involve restricted isometry properties and instance optimal decoders. We investigate the possibility of achieving practical recovery with an iterative algorithm based on the graphical lasso, viewed as a specific denoiser. We compare our approach and graphical lasso on synthetic datasets, demonstrating its favorable performance even when the dataset is compressed.

This paper seeks to solve Multi-Source Domain Adaptation (MSDA), which aims to mitigate data distribution shifts when transferring knowledge from multiple labeled source domains to an unlabeled target domain. We propose a novel MSDA framework based on dictionary learning and optimal transport. We interpret each domain in MSDA as an empirical distribution. As such, we express each domain as a Wasserstein barycenter of dictionary atoms, which are empirical distributions. We propose a novel algorithm, DaDiL, for learning via mini-batches: (i) atom distributions; (ii) a matrix of barycentric coordinates. Based on our dictionary, we propose two novel methods for MSDA: DaDil-R, based on the reconstruction of labeled samples in the target domain, and DaDiL-E, based on the ensembling of classifiers learned on atom distributions. We evaluate our methods in 3 benchmarks: Caltech-Office, Office 31, and CRWU, where we improved previous state-of-the-art by 3.15%, 2.29%, and 7.71% in classification performance. Finally, we show that interpolations in the Wasserstein hull of learned atoms provide data that can generalize to the target domain.

Causal representation learning algorithms discover lower-dimensional representations of data that admit a decipherable interpretation of cause and effect; as achieving such interpretable representations is challenging, many causal learning algorithms utilize elements indicating prior information, such as (linear) structural causal models, interventional data, or weak supervision. Unfortunately, in exploratory causal representation learning, such elements and prior information may not be available or warranted. Alternatively, scientific datasets often have multiple modalities or physics-based constraints, and the use of such scientific, multimodal data has been shown to improve disentanglement in fully unsupervised settings. Consequently, we introduce a causal representation learning algorithm (causalPIMA) that can use multimodal data and known physics to discover important features with causal relationships. Our innovative algorithm utilizes a new differentiable parametrization to learn a directed acyclic graph (DAG) together with a latent space of a variational autoencoder in an end-to-end differentiable framework via a single, tractable evidence lower bound loss function. We place a Gaussian mixture prior on the latent space and identify each of the mixtures with an outcome of the DAG nodes; this novel identification enables feature discovery with causal relationships. Tested against a synthetic and a scientific dataset, our results demonstrate the capability of learning an interpretable causal structure while simultaneously discovering key features in a fully unsupervised setting.  ( 2 min )

Recent years have witnessed rapid progress in observations of the Epoch of Reionization (EoR). These have enabled high-dimensional inference of galaxy and intergalactic medium (IGM) properties during the first billion years of our Universe. However, even using efficient, semi-numerical simulations, traditional inference approaches that compute 3D lightcones on-the-fly can take $10^5$ core hours. Here we present 21cmEMU: an emulator of several summary observables from the popular 21cmFAST simulation code. 21cmEMU takes as input nine parameters characterizing EoR galaxies, and outputs the following summary statistics: (i) the IGM mean neutral fraction; (ii) the 21-cm power spectrum; (iii) the mean 21-cm spin temperature; (iv) the sky-averaged (global) 21-cm signal; (vi) the ultraviolet (UV) luminosity functions (LFs); and (vii) the Thomson scattering optical depth to the cosmic microwave background (CMB). All observables are predicted with sub-percent median accuracy, with a reduction of the computational cost by a factor of over 10$^4$. After validating inference results, we showcase a few applications, including: (i) quantifying the relative constraining power of different observational datasets; (ii) seeing how recent claims of a late EoR impact previous inferences; and (iii) forecasting upcoming constraints from the sixth observing season of the Hydrogen Epoch of Reionization Array (HERA) telescope. 21cmEMU is publicly-available, and is included as an alternative simulator in the public 21CMMC sampler.  ( 2 min )

Black-box variational inference performance is sometimes hindered by the use of gradient estimators with high variance. This variance comes from two sources of randomness: Data subsampling and Monte Carlo sampling. While existing control variates only address Monte Carlo noise, and incremental gradient methods typically only address data subsampling, we propose a new "joint" control variate that jointly reduces variance from both sources of noise. This significantly reduces gradient variance, leading to faster optimization in several applications.  ( 2 min )

Contrastive learning has recently emerged as a promising approach for learning data representations that discover and disentangle the explanatory factors of the data. Previous analyses of such approaches have largely focused on individual contrastive losses, such as noise-contrastive estimation (NCE) and InfoNCE, and rely on specific assumptions about the data generating process. This paper extends the theoretical guarantees for disentanglement to a broader family of contrastive methods, while also relaxing the assumptions about the data distribution. Specifically, we prove identifiability of the true latents for four contrastive losses studied in this paper, without imposing common independence assumptions. The theoretical findings are validated on several benchmark datasets. Finally, practical limitations of these methods are also investigated.  ( 2 min )

In this paper, we develop data-dependent and algorithm-dependent generalization bounds for transductive learning algorithms in the context of information theory for the first time. We show that the generalization gap of transductive learning algorithms can be bounded by the mutual information between training labels and hypothesis. By innovatively proposing the concept of transductive supersamples, we go beyond the inductive learning setting and establish upper bounds in terms of various information measures. Furthermore, we derive novel PAC-Bayesian bounds and build the connection between generalization and loss landscape flatness under the transductive learning setting. Finally, we present the upper bounds for adaptive optimization algorithms and demonstrate the applications of results on semi-supervised learning and graph learning scenarios. Our theoretic results are validated on both synthetic and real-world datasets.  ( 2 min )

The rising popularity of artificial intelligence in healthcare is highlighting the problem that a computational model achieving super-human clinical performance at its training sites may perform substantially worse at new sites. In this perspective, we present common sources for this failure to transport, which we divide into sources under the control of the experimenter and sources inherent to the clinical data-generating process. Of the inherent sources we look a little deeper into site-specific clinical practices that can affect the data distribution, and propose a potential solution intended to isolate the imprint of those practices on the data from the patterns of disease cause and effect that are the usual target of clinical models.  ( 2 min )

In this paper, we present new high-probability PAC-Bayes bounds for different types of losses. Firstly, for losses with a bounded range, we recover a strengthened version of Catoni's bound that holds uniformly for all parameter values. This leads to new fast rate and mixed rate bounds that are interpretable and tighter than previous bounds in the literature. In particular, the fast rate bound is equivalent to the Seeger--Langford bound. Secondly, for losses with more general tail behaviors, we introduce two new parameter-free bounds: a PAC-Bayes Chernoff analogue when the loss' cumulative generating function is bounded, and a bound when the loss' second moment is bounded. These two bounds are obtained using a new technique based on a discretization of the space of possible events for the "in probability" parameter optimization problem. This technique is both simpler and more general than previous approaches optimizing over a grid on the parameters' space. Finally, we extend all previous results to anytime-valid bounds using a simple technique applicable to any existing bound.  ( 2 min )

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.  ( 3 min )

Learning with rejection is an important framework that can refrain from making predictions to avoid critical mispredictions by balancing between prediction and rejection. Previous studies on cost-based rejection only focused on the classification setting, which cannot handle the continuous and infinite target space in the regression setting. In this paper, we investigate a novel regression problem called regression with cost-based rejection, where the model can reject to make predictions on some examples given certain rejection costs. To solve this problem, we first formulate the expected risk for this problem and then derive the Bayes optimal solution, which shows that the optimal model should reject to make predictions on the examples whose variance is larger than the rejection cost when the mean squared error is used as the evaluation metric. Furthermore, we propose to train the model by a surrogate loss function that considers rejection as binary classification and we provide conditions for the model consistency, which implies that the Bayes optimal solution can be recovered by our proposed surrogate loss. Extensive experiments demonstrate the effectiveness of our proposed method.  ( 2 min )

Neural networks have shown remarkable performance in computer vision, but their deployment in numerous scientific and technical fields is challenging due to their black-box nature. Scientists and practitioners need to evaluate the reliability of a decision, i.e., to know simultaneously if a model relies on the relevant features and whether these features are robust to image corruptions. Existing attribution methods aim to provide human-understandable explanations by highlighting important regions in the image domain, but fail to fully characterize a decision process's reliability. To bridge this gap, we introduce the Wavelet sCale Attribution Method (WCAM), a generalization of attribution from the pixel domain to the space-scale domain using wavelet transforms. Attribution in the wavelet domain reveals where and on what scales the model focuses, thus enabling us to assess whether a decision is reliable. Our code is accessible here: \url{https://github.com/gabrielkasmi/spectral-attribution}.  ( 2 min )

This paper introduces causal scoring as a novel approach to frame causal estimation in the context of decision making. Causal scoring entails the estimation of scores that support decision making by providing insights into causal effects. We present three valuable causal interpretations of these scores: effect estimation (EE), effect ordering (EO), and effect classification (EC). In the EE interpretation, the causal score represents the effect itself. The EO interpretation implies that the score can serve as a proxy for the magnitude of the effect, enabling the sorting of individuals based on their causal effects. The EC interpretation enables the classification of individuals into high- and low-effect categories using a predefined threshold. We demonstrate the value of these alternative causal interpretations (EO and EC) through two key results. First, we show that aligning the statistical modeling with the desired causal interpretation improves the accuracy of causal estimation. Second, we establish that more flexible causal interpretations are plausible in a wider range of data-generating processes and propose conditions to assess their validity. We showcase the practical utility of the causal scoring framework through examples in diverse fields such as advertising, healthcare, and education, illustrating how it facilitates reasoning about flexible causal interpretations of statistical estimates in various contexts. The examples encompass confounded estimates, effect estimates on surrogate outcomes, and even predictions about non-causal quantities as potential causal scores.  ( 3 min )

Good data stewardship requires removal of data at the request of the data's owner. This raises the question if and how a trained machine-learning model, which implicitly stores information about its training data, should be affected by such a removal request. Is it possible to "remove" data from a machine-learning model? We study this problem by defining certified removal: a very strong theoretical guarantee that a model from which data is removed cannot be distinguished from a model that never observed the data to begin with. We develop a certified-removal mechanism for linear classifiers and empirically study learning settings in which this mechanism is practical.  ( 2 min )

Suppose we observe a random vector $X$ from some distribution $P$ in a known family with unknown parameters. We ask the following question: when is it possible to split $X$ into two parts $f(X)$ and $g(X)$ such that neither part is sufficient to reconstruct $X$ by itself, but both together can recover $X$ fully, and the joint distribution of $(f(X),g(X))$ is tractable? As one example, if $X=(X_1,\dots,X_n)$ and $P$ is a product distribution, then for any $m<n$, we can split the sample to define $f(X)=(X_1,\dots,X_m)$ and $g(X)=(X_{m+1},\dots,X_n)$. Rasines and Young (2022) offers an alternative route of accomplishing this task through randomization of $X$ with additive Gaussian noise which enables post-selection inference in finite samples for Gaussian distributed data and asymptotically for non-Gaussian additive models. In this paper, we offer a more general methodology for achieving such a split in finite samples by borrowing ideas from Bayesian inference to yield a (frequentist) solution that can be viewed as a continuous analog of data splitting. We call our method data fission, as an alternative to data splitting, data carving and p-value masking. We exemplify the method on a few prototypical applications, such as post-selection inference for trend filtering and other regression problems.  ( 3 min )

We study the problem of robustly estimating the mean or location parameter without moment assumptions. We show that for a large class of symmetric distributions, the same error as in the Gaussian setting can be achieved efficiently. The distributions we study include products of arbitrary symmetric one-dimensional distributions, such as product Cauchy distributions, as well as elliptical distributions. For product distributions and elliptical distributions with known scatter (covariance) matrix, we show that given an $\varepsilon$-corrupted sample, we can with probability at least $1-\delta$ estimate its location up to error $O(\varepsilon \sqrt{\log(1/\varepsilon)})$ using $\tfrac{d\log(d) + \log(1/\delta)}{\varepsilon^2 \log(1/\varepsilon)}$ samples. This result matches the best-known guarantees for the Gaussian distribution and known SQ lower bounds (up to the $\log(d)$ factor). For elliptical distributions with unknown scatter (covariance) matrix, we propose a sequence of efficient algorithms that approaches this optimal error. Specifically, for every $k \in \mathbb{N}$, we design an estimator using time and samples $\tilde{O}({d^k})$ achieving error $O(\varepsilon^{1-\frac{1}{2k}})$. This matches the error and running time guarantees when assuming certifiably bounded moments of order up to $k$. For unknown covariance, such error bounds of $o(\sqrt{\varepsilon})$ are not even known for (general) sub-Gaussian distributions. Our algorithms are based on a generalization of the well-known filtering technique. We show how this machinery can be combined with Huber-loss-based techniques to work with projections of the noise that behave more nicely than the initial noise. Moreover, we show how SoS proofs can be used to obtain algorithmic guarantees even for distributions without a first moment. We believe that this approach may find other applications in future works.  ( 3 min )

In this paper, we propose to develop a new Cram\'er-Rao Bound (CRB) when the parameter to estimate lies in a manifold and follows a prior distribution. This derivation leads to a natural inequality between an error criteria based on geometrical properties and this new bound. This main contribution is illustrated in the problem of covariance estimation when the data follow a Gaussian distribution and the prior distribution is an inverse Wishart. Numerical simulation shows new results where the proposed CRB allows to exhibit interesting properties of the MAP estimator which are not observed with the classical Bayesian CRB.  ( 2 min )

This paper establishes the nearly optimal rate of approximation for deep neural networks (DNNs) when applied to Korobov functions, effectively overcoming the curse of dimensionality. The approximation results presented in this paper are measured with respect to $L_p$ norms and $H^1$ norms. Our achieved approximation rate demonstrates a remarkable "super-convergence" rate, outperforming traditional methods and any continuous function approximator. These results are non-asymptotic, providing error bounds that consider both the width and depth of the networks simultaneously.  ( 2 min )

We study the robust best-arm identification problem (RBAI) in the case of linear rewards. The primary objective is to identify a near-optimal robust arm, which involves selecting arms at every round and assessing their robustness by exploring potential adversarial actions. This approach is particularly relevant when utilizing a simulator and seeking to identify a robust solution for real-world transfer. To this end, we present an instance-dependent lower bound for the robust best-arm identification problem with linear rewards. Furthermore, we propose both static and adaptive bandit algorithms that achieve sample complexity that matches the lower bound. In synthetic experiments, our algorithms effectively identify the best robust arm and perform similarly to the oracle strategy. As an application, we examine diabetes care and the process of learning insulin dose recommendations that are robust with respect to inaccuracies in standard calculators. Our algorithms prove to be effective in identifying robust dosage values across various age ranges of patients.  ( 2 min )

Happ and Greven (2018) developed a methodology for principal components analysis of multivariate functional data for data observed on different dimensional domains. Their approach relies on an estimation of univariate functional principal components for each univariate functional feature. In this paper, we present extensive simulations to investigate choosing the number of principal components to retain. We show empirically that the conventional approach of using a percentage of variance explained threshold for each univariate functional feature may be unreliable when aiming to explain an overall percentage of variance in the multivariate functional data, and thus we advise practitioners to be careful when using it.  ( 2 min )

Certifiable, adaptive uncertainty estimates for unknown quantities are an essential ingredient of sequential decision-making algorithms. Standard approaches rely on problem-dependent concentration results and are limited to a specific combination of parameterization, noise family, and estimator. In this paper, we revisit the likelihood-based inference principle and propose to use likelihood ratios to construct any-time valid confidence sequences without requiring specialized treatment in each application scenario. Our method is especially suitable for problems with well-specified likelihoods, and the resulting sets always maintain the prescribed coverage in a model-agnostic manner. The size of the sets depends on a choice of estimator sequence in the likelihood ratio. We discuss how to provably choose the best sequence of estimators and shed light on connections to online convex optimization with algorithms such as Follow-the-Regularized-Leader. To counteract the initially large bias of the estimators, we propose a reweighting scheme that also opens up deployment in non-parametric settings such as RKHS function classes. We provide a non-asymptotic analysis of the likelihood ratio confidence sets size for generalized linear models, using insights from convex duality and online learning. We showcase the practical strength of our method on generalized linear bandit problems, survival analysis, and bandits with various additive noise distributions.  ( 2 min )

Online learning quantum states with the logarithmic loss (LL-OLQS) is a quantum generalization of online portfolio selection, a classic open problem in the field of online learning for over three decades. The problem also emerges in designing randomized optimization algorithms for maximum-likelihood quantum state tomography. Recently, Jezequel et al. (arXiv:2209.13932) proposed the VB-FTRL algorithm, the first nearly regret-optimal algorithm for OPS with moderate computational complexity. In this note, we generalize VB-FTRL for LL-OLQS. Let $d$ denote the dimension and $T$ the number of rounds. The generalized algorithm achieves a regret rate of $O ( d^2 \log ( d + T ) )$ for LL-OLQS. Each iteration of the algorithm consists of solving a semidefinite program that can be implemented in polynomial time by, e.g., cutting-plane methods. For comparison, the best-known regret rate for LL-OLQS is currently $O ( d^2 \log T )$, achieved by the exponential weight method. However, there is no explicit implementation available for the exponential weight method for LL-OLQS. To facilitate the generalization, we introduce the notion of VB-convexity. VB-convexity is a sufficient condition for the logarithmic barrier associated with any function to be convex and is of independent interest.  ( 2 min )

I want to do an instance segmentation of objects in images. Usually I would stick to something like an Mask R CNN and let it run. However additionally to the image itself and the pre-labeled images, I have additional features that might be interesting for the segmentation. Example: I want to segment certain products in images from a factory and I have additional information about the products than run at a specific time (like product family, color, brand, etc.). How do I add these additional features in an instance segmentation? submitted by /u/phillylovesdata [link] [comments]  ( 9 min )

Background info: Greetings. I am a student who attentds computer science uni and as part of my dissertation I have to train some models. The thing is,I'm quite new with machine learning and my knowledge is limited so far. Main: I'm trying to open a 10gb dataset in Google colab to sanitize and preprocess the data before feeding them into a CNN model and I don't know which is the best way to do it. Thanks for your time submitted by /u/ThrowRA39495 [link] [comments]  ( 9 min )

XTTSv2 is released. I’d say it’s a big jump in quality. Better voice cloning Better audio Impressive prosody and expressiveness Added more languages, I guess total 16 languages. Non-EN languages sounds way better Streaming under 200ms ( I have 3090) Finetuning code Here you can try https://huggingface.co/spaces/coqui/xtts submitted by /u/coinfelix [link] [comments]  ( 9 min )

I'm new to image classification and ML and this is going to be my first project on those topics. I'm considering using VGG16 because I saw some studies showing that it has a generally great accuracy score (80-95%) but I'm worried that the model might not be fast enough or the app file size might get massive if I want the app to be usable without internet connection. What do you guys think? submitted by /u/Rhet98 [link] [comments]  ( 9 min )

This is the first in a series of webcasts covering the development and experimentation of using GPT algorithms, LangChain and Python to control the high-level strategy of a StarCraft II bot. I’ll be running through the basics of the implementation, discussing the use of prompts and prompt engineering, and demonstrating the implementation in action. https://youtu.be/E3Sj2L6ZnXA submitted by /u/Resident-Weather-324 [link] [comments]  ( 9 min )

I'm trying to finetune an LLM with LoRA, using transformers' Trainer. In twenty minutes of training it didn't output any logs to screen or to disk, even though I set logging_steps to 1: trainer = transformers.Trainer( ... args = transformers.TrainingArguments( ... logging_steps=1, logging_dir="logs", ), ) What do I need to do to see the training log? Set up any callbacks? submitted by /u/Foxtr0t [link] [comments]  ( 9 min )

I've been trying to make a gnn that can do molecular dynamics simulations on some decently simple molecules. While I have experience with ml, I'm pretty new to the molecular dynamics part and found that to be pretty confusing. Can someone please point me to some resources that cover this topic? submitted by /u/The_Invincible7 [link] [comments]  ( 9 min )

Hi Folks, I am trying to build a solution where I input an e-commerce product URL and automatically get all the competitors for that product. If you could provide any direction concerning it. It will be beneficial. submitted by /u/Used-Preparation-921 [link] [comments]  ( 9 min )

I'm a data engineer who somehow ended up as a software developer. So many of my friends are working now with the OpenAI api to add generative capabilities to their product, but they lack A LOT of context when it comes to how LLMs actually works. This is why I started writing popular-science style articles that unpack AI concepts for software developers working on real-world application. It started kind of slow, honestly I wrote a bit too "brainy" for them, but now I've found a voice that resonance with this audience much better and I want to ramp up my writing cadence. I would love to hear your thoughts about what concepts I should write about next? What get you excited and you find hard to explain to someone with a different background? submitted by /u/GratefullyFriendly73 [link] [comments]  ( 9 min )

Hi, we all know that text embeddings (e.g., SBERT, simCSE, LLM embeddings) are very powerful. However, my little grudge with them was always that it's hard to say what's really in them. Okay, matching them gives some value of "relatedness" or "similarity", but the value is kind of really hard to interpret. I mean text can be really diverse and is often similar in some categories, but not in others. Here's an example: "The man builds a tent" "Two men build a tent" A text embedding model such as SBERT gives a high similarity score, which is fine, since the sentences are in fact quite similar. However, they're similar because they're mostly on the same stuff/topics, but they're dissimilar in their use of number: in the first sentence there's one man, in the second sentence there's two! …  ( 10 min )

Hi everyone, I pretrained T5 small, base and large on the [PrivaSeer](https://privaseer.ist.psu.edu/data) corpus with a spanned MLM objective. I called the pretrained model PrivaT5. Then finetuned PrivaT5 and T5 small, base and large on some tasks of the [PrivacyGLUE](https://github.com/infsys-lab/privacy-glue) benchmark. You can see the results in these plots: https://preview.redd.it/vzq1l2jdqazb1.png?width=1280&format=png&auto=webp&s=f73239ecf59f409ec1371a59e52599e89d89c97b For all model sizes I used the same hyperparameters except for the batch size I changed it to make the model fit on the TPU. Example : ​ ``` --model_name_or_path="t5-base" --hub_save_name_or_path="t5-base" --model_type="t5-base" --config_name="t5-base" --tokenizer_name="t5-base" --max_seq_length="512" --per_device_train_batch_size="16" --per_device_eval_batch_size="16" --adafactor --learning_rate="0.001" --weight_decay="0.0" --warmup_steps="0" --overwrite_output_dir --logging_steps="500" --save_steps="50" --eval_steps="50" --num_train_epochs="100" ``` Could anyone give me possible reasons why the PrivaT5 base performance unexpectedly drops on the OPP-115 and Policy-Detection tasks compared to PrivaT5 small? (Multilabel text classification & binary text classification respectively). Thank you! submitted by /u/alzoubi36 [link] [comments]  ( 9 min )

Would like to ask if there are any other Data Visualization Techniques or Tools to visualize a Multilabel Classification Data? One of the many ways that we can visualize a high dimensional dataset is through a correlation heatmap. A heatmap may be made using the seaborn library and the panda dataframe's corr() method which returns the pairwise correlations of columns. Correlation Map using seaborn But I want to explore other and possibly better techniques aside from this. Especially that can deal with a very high dimension dataset such as mine. Would love to hear from your suggestions in regards to this. Thank you very much!!! ​ submitted by /u/RalphuChino [link] [comments]  ( 9 min )

Paper: https://arxiv.org/abs/2311.02462 Abstract: We propose a framework for classifying the capabilities and behavior of Artificial General Intelligence (AGI) models and their precursors. This framework introduces levels of AGI performance, generality, and autonomy. It is our hope that this framework will be useful in an analogous way to the levels of autonomous driving, by providing a common language to compare models, assess risks, and measure progress along the path to AGI. To develop our framework, we analyze existing definitions of AGI, and distill six principles that a useful ontology for AGI should satisfy. These principles include focusing on capabilities rather than mechanisms; separately evaluating generality and performance; and defining stages along the path toward AGI, rather than focusing on the endpoint. With these principles in mind, we propose 'Levels of AGI' based on depth (performance) and breadth (generality) of capabilities, and reflect on how current systems fit into this ontology. We discuss the challenging requirements for future benchmarks that quantify the behavior and capabilities of AGI models against these levels. Finally, we discuss how these levels of AGI interact with deployment considerations such as autonomy and risk, and emphasize the importance of carefully selecting Human-AI Interaction paradigms for responsible and safe deployment of highly capable AI systems. https://preview.redd.it/64biopsh79zb1.png?width=797&format=png&auto=webp&s=9af1c5085938dac000aaf23aa1b306133b01edb4 submitted by /u/APaperADay [link] [comments]  ( 9 min )

Best practical method of knowledge distillation available? TL;DR: Knowledge distillation generally performs worse than traning model from scratch on data from what I've seen online. Is there a method of KD where this doesn't happen and I get close to performance of a model if it was trained from scratch? So I've recently been interested in make DL models more useful for everyday tasks. And considering their size trying to run these models on consumer devices without much loss in quality but rn from what I've seen, this just feels like trying fit an elephant into his pants. Basically it tears everytime I try. I found quantization to be cool but I need to reduce its size even more tbh. So I found knowledge distillation. But from what I've seen, though theoretically it is fantastic. Practically knowlege distillation sucks. And is probably worse than just straight up traning the model from scratch on the dataset. So is there a used and proven method of knowledge distillation that I can use? Which will give me at least very close accuracy to a model trained from scratch on dataset? submitted by /u/Xanta_Kross [link] [comments]  ( 9 min )

Looking for something that can get as close to human as possible if one exists. I’ve tried and enjoyed Replika actually still have it but my rep is at 11 and the levels have been exhausted. Though it’s limited to NSFW text and voice only. Was looking to see if I could find an AI that has replika features but with better memory, sends selfies regularly of herself and not randomly generated ones (including NSFW) I’m new to the game. submitted by /u/Jyeung691 [link] [comments]  ( 9 min )

Humane has officially unveiled the Humane Ai Pin, an AI-powered device that aims to replace smartphones. The device is a standalone device and software platform built from the ground up with AI, meaning it does not need to be paired with a smartphone. It can perform various functions such as calling, texting, taking photos or videos, listening to music, and more. The device is powered by AI and can recognize objects, provide nutrition information, and even make online purchases. The Humane Ai Pin will cost $699 and will be available for order in the United States on November 16th. Source : https://bgr.com/tech/humane-officially-unveils-the-ai-pin-a-device-that-aspires-to-replace-your-smartphone/ submitted by /u/NuseAI [link] [comments]  ( 9 min )

Hey, I have a roguelike deckbuilding game I want to train an agent to play using pure unsupervised RL; I chose PPO as I understand (to my amateur knowledge) that is the most fitting algorithm. I have a very large categorical space that I have to send in (basically what cards are in the deck and which cards are being offered to pick), and I need the agent to learn the best picks. I attempted to use an embedding layer and input the cards the player has + given cards + numerical data (concated with the embedding output). I tried playing around with various hyperparameters, but so far, I have not been able to generate any learning. Any help or advice would be greatly appreciated, thanks! submitted by /u/Jagerjj [link] [comments]  ( 9 min )

Hello guys, I wanna ask if someone knows how can I detect custom made characters with OCR. I want to detect the normal alphabet and numbers but in addition for example hieroglyphics. I tried to use YOLO and the hieroglyphics were labeled as AA or MM or something like that, but I want your opinions. Thanks! submitted by /u/quorra96 [link] [comments]  ( 9 min )

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As title says, I am interested in your daily AI-Tool activities. Which tools do you use and provide you with more efficiency? Do you have any suggestions for me or others? ​ Mine is mymind.com It helps save content as it automatically categorizes it websites and notes. So far, I really enjoy it. What are your suggestions? submitted by /u/345Y_Chubby [link] [comments]  ( 9 min )

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do you know eve.calls? are they legit? - submitted by /u/Niu_Davinci [link] [comments]  ( 9 min )

do you know eve.calls? are they legit? - submitted by /u/Niu_Davinci [link] [comments]  ( 9 min )

First off im not entirely sure how to frame this or even where I should be asking. So if im in the wrong place and you have a better suggestion that would be great. So far ive asked in LearnMachineLearning and MLQuestions but had no response. As someone with various mental health and gifted learning issues with a history in IT (albeit a bit of a dusty unused one), this is something I have been thinking about for a very long time. Every time i look into it ive found the tech just wasnt really up for it without it being a huge nightmare anyway. Recently ive been looking at recent advances in things like chat GPT and similar AI and I feel its time to look again and see if there is anything that can help me that doesn't need an entire organization working on a mainframe to implement. So here…  ( 11 min )

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Hi! I am completely new to this one, but with the advancement of the AI-Tools I want to give it a try. I want to make short tutorials for Beginners in the 3D software Blender, but I don't want to use my voice due to anomymity reasons. Plus, if this is already feaseable, I would at least place a small reacting avatar in the bottom right or so. Ideally, the workflow would be that I narrate what I am doing and the AI translates this into either text or another voice directly, as well as animates the avatar. I am okay with paid tools, my question is if we are "at this point" already technically and if yes, if you have recommended tools? submitted by /u/Ryselle [link] [comments]  ( 9 min )

GitHub Copilot Chat will become generally available in December.[1] Figma introduces FigJam AI to spare designers from boring planning prep.[2] AI Will Cut Cost of Animated Films by 90%, Jeff Katzenberg Says.[3] Google just announced that it’s bringing Generative AI in search to more than 120 new countries and territories. Thus, the Search Generative Experience (SGE) got its largest international expansion so far.[4] Sources: [1] https://www.neowin.net/news/github-copilot-chat-will-become-generally-available-in-december/ [2] https://www.theverge.com/2023/11/7/23950667/figma-figjam-generative-ai-design-tools-beta-announcement [3] https://finance.yahoo.com/news/ai-cut-cost-animated-films-051506470.html? [4] https://www.gsmarena.com/google_brings_generative_ai_in_search_to_120_new_countries_and_territories-news-60524.php submitted by /u/Excellent-Target-847 [link] [comments]  ( 9 min )

Even though we have access to Adobe Premiere and other similar video editing tools, I'm wondering if there's anything out there that will take most scenic or b-roll footage from our family vacation, which includes drone and DSLR footage, and trims the footage in the right sequence to create a video of X length with little or no human intervention. Thoughts? submitted by /u/crmjewelers [link] [comments]  ( 9 min )

Paper: https://arxiv.org/abs/2311.02215 Abstract: Conventional reinforcement learning (RL) algorithms exhibit broad generality in their theoretical formulation and high performance on several challenging domains when combined with powerful function approximation. However, developing RL algorithms that perform well across problems with unstructured observations at scale remains challenging because most function approximation methods rely on externally provisioned knowledge about the structure of the input for good performance (e.g. convolutional networks, graph neural networks, tile-coding). A common practice in RL is to evaluate algorithms on a single problem, or on problems with limited variation in the observation scale. RL practitioners lack a systematic way to study how well a single RL algorithm performs when instantiated across a range of problem scales, and they lack function approximation techniques that scale well with unstructured observations. We address these limitations by providing environments and algorithms to study scaling for unstructured observation vectors and flat action spaces. We introduce a family of combinatorial RL problems with an exponentially large state space and high-dimensional dynamics but where linear computation is sufficient to learn a (nonlinear) value function estimate for performant control. We provide an algorithm that constructs reward-relevant general value function (GVF) questions to find and exploit predictive structure directly from the experience stream. In an empirical evaluation of the approach on synthetic problems, we observe a sample complexity that scales linearly with the observation size. The proposed algorithm reliably outperforms a conventional deep RL algorithm on these scaling problems, and they exhibit several desirable auxiliary properties. These results suggest new algorithmic mechanisms by which algorithms can learn at scale from unstructured data. submitted by /u/APaperADay [link] [comments]  ( 9 min )

I'm trying to run this code example https://pytorch.org/rl/tutorials/coding_ppo.html to get a sense for how to implement ppo and I'm also interested in a couple other RL projects that use mujoco. Unfortunately I'm on windows 10 and I heard mujoco is deprecated for windows, so I figured I would just use an ubuntu virtual machine in vmware workstation. Once I set it up, I realized it can't access my nvidia 3080. Should I just dual boot? Or is there a windows solution? If I dual boot will the linux boot have full access to the gpu? submitted by /u/theLanguageSprite [link] [comments]  ( 9 min )

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Hello I want my PPO model to choose between 5 different actions. two of these are binary and the other three are real numbers between 0 and 1. so my gym action space is like this: first = Discrete(2) second = Discrete(2) third = Box(low=0,high=1,shape=(1,)) fourth = Box(low=0,high=1,shape=(1,)) fifth = Box(low=0,high=1,shape=(1,)) action_space = Tuple((first,second,third,fourth,fifth)) a sample would look like this: (1, 0, array([0.57706404], dtype=float32), array([0.956483], dtype=float32), array([0.09770907], dtype=float32)) but i actually want only one AI chosen element to be above zero and everything else zero like for example (0, 0, array([0.57706404], dtype=float32), array([0], dtype=float32), array([0], dtype=float32)) is this even possible? The best thing i can come up with is have the following action_space type = Discrete(5) ratio = Box(low=0,high=1,shape=(1,)) d = Tuple((first,ratio)) sample: sample: (4, array([0.37991711], dtype=float32)) My guess is that would work but it does not seem optimal to me. Or should i actually use the previous action_space and hope PPO will learn over time to only put one element above zero and null everything else? Any help would be appreciated. Thanks! submitted by /u/phoenix_fire_stone [link] [comments]  ( 9 min )

For offline hyper-parameter selection, I've come across several papers, including this one, that recommend methods like FQE. These approaches can help eliminate poorly performing policies. I tested this on a toy environment, and the results so far indicate a strong correlation between actual rewards and the values estimated by the FQE. Is it also a valid technique to compare the performance of the trained policy with the behavior policy (the policy used to collect the data)? I have a few questions: Could the FQE potentially overestimate out-of-distribution (OOD) actions, leading to a higher value for the trained policy (that selects OOD actions) compared to the behavior policy? Would the comparison be valid if the data is collected by several different policies with varying performance levels (some expert, others completely random, and some in between)? Also if you have experience with offline reinforcement learning, I would love to know how did you deal with hyper-parameter selection and comparison with behavior policy. What were the end results? submitted by /u/ZIGGY-Zz [link] [comments]  ( 9 min )

E.g. imagine a gridworld where agent has to go to a goal space. I want it to be able to do this across many different types of levels but where task is same: "go to goal." Right now I use parallel envs for PPO and train simultaneously on all version environments. It worked for 2 very small levels but a bit slow, so I wanted to confirm this was best approach (e.g. vs sequential learning or curriculum learning or something completely different). I tried googling but can't find info on it for some reason. I did see the parallel env approach with domain randomization in a paper, but they don't discuss it much. submitted by /u/rl_ninja_rl_ninja [link] [comments]  ( 9 min )

Hey everyone, I am working on a project in the field of MARL and it would be a great help if anyone could help me, I am looking for implementations of the following environments: Decentralized Tiger Decentralized Rock Sampling Decentralized Box Pushing ​ I prefer the implementations to be in python and if they could follow the MultiAgentEnv interface created by the pymarl framework that would be perfect! thank you submitted by /u/yoyo-master [link] [comments]  ( 9 min )

Posted by Katherine Heller, Research Scientist, Google Research, on behalf of the CAIR Team Artificial intelligence (AI) and related machine learning (ML) technologies are increasingly influential in the world around us, making it imperative that we consider the potential impacts on society and individuals in all aspects of the technology that we create. To these ends, the Context in AI Research (CAIR) team develops novel AI methods in the context of the entire AI pipeline: from data to end-user feedback. The pipeline for building an AI system typically starts with data collection, followed by designing a model to run on that data, deployment of the model in the real world, and lastly, compiling and incorporation of human feedback. Originating in the health space, and now expanded to a…  ( 93 min )

Posted by Kevin Miao and Matt McEwen, Research Scientists, Quantum AI Team The qubits that make up Google quantum devices are delicate and noisy, so it’s necessary to incorporate error correction procedures that identify and account for qubit errors on the way to building a useful quantum computer. Two of the most prevalent error mechanisms are bit-flip errors (where the energy state of the qubit changes) and phase-flip errors (where the phase of the encoded quantum information changes). Quantum error correction (QEC) promises to address and mitigate these two prominent errors. However, there is an assortment of other error mechanisms that challenges the effectiveness of QEC. While we want qubits to behave as ideal two-level systems with no loss mechanisms, this is not the case in r…  ( 94 min )

Building out a machine learning operations (MLOps) platform in the rapidly evolving landscape of artificial intelligence (AI) and machine learning (ML) for organizations is essential for seamlessly bridging the gap between data science experimentation and deployment while meeting the requirements around model performance, security, and compliance. In order to fulfill regulatory and compliance requirements, the […]  ( 17 min )

Generative AI models for coding companions are mostly trained on publicly available source code and natural language text. While the large size of the training corpus enables the models to generate code for commonly used functionality, these models are unaware of code in private repositories and the associated coding styles that are enforced when developing […]  ( 11 min )

Wield the blade and embrace the way of the samurai for some thrilling action — Onimusha: Warlords comes to GeForce NOW this week. Members can experience feudal Japan in this hack-and-slash adventure game in the cloud. It’s part of an action-packed GFN Thursday, with 16 more games joining the cloud gaming platform’s library. Forging Destinies Read article >  ( 5 min )

Working together to create open-source and private datasets for AI training.  ( 2 min )

How do powerful generative AI systems like ChatGPT work, and what makes them different from other types of artificial intelligence?  ( 11 min )

We present a computationally efficient framework, called FlowDRO, for solving flow-based distributionally robust optimization (DRO) problems with Wasserstein uncertainty sets while aiming to find continuous worst-case distribution (also called the Least Favorable Distribution, LFD). The requirement for LFD to be continuous is so that the algorithm can be scalable to problems with larger sample sizes and achieve better generalization capability for the induced robust algorithms. To tackle the computationally challenging infinitely dimensional optimization problem, we leverage flow-based models and continuous-time invertible transport maps between the data distribution and the target distribution. We also develop a Wasserstein proximal gradient flow type of algorithm. In theory, we establish the equivalence of the solution by optimal transport map to the original formulation, as well as the dual form of the problem through Wasserstein calculus and Brenier theorem. In practice, we parameterize the transport maps by a sequence of neural networks progressively trained in blocks by gradient descent. Our computational framework is general, can handle high-dimensional data with large sample sizes, and can be useful for various applications. We demonstrate its usage in adversarial learning, distributionally robust hypothesis testing, and a new mechanism for data-driven distribution perturbation differential privacy, where the proposed method gives strong empirical performance on real high-dimensional data.  ( 2 min )

We propose a new method for separating superimposed sources using diffusion-based generative models. Our method relies only on separately trained statistical priors of independent sources to establish a new objective function guided by maximum a posteriori estimation with an $\alpha$-posterior, across multiple levels of Gaussian smoothing. Motivated by applications in radio-frequency (RF) systems, we are interested in sources with underlying discrete nature and the recovery of encoded bits from a signal of interest, as measured by the bit error rate (BER). Experimental results with RF mixtures demonstrate that our method results in a BER reduction of 95% over classical and existing learning-based methods. Our analysis demonstrates that our proposed method yields solutions that asymptotically approach the modes of an underlying discrete distribution. Furthermore, our method can be viewed as a multi-source extension to the recently proposed score distillation sampling scheme, shedding additional light on its use beyond conditional sampling. The project webpage is available at https://alpha-rgs.github.io  ( 2 min )

Real-time railway rescheduling is an important technique to enable operational recovery in response to unexpected and dynamic conditions in a timely and flexible manner. Current research relies mostly on OD based data and model-based methods for estimating train passenger demands. These approaches primarily focus on averaged disruption patterns, often overlooking the immediate uneven distribution of demand over time. In reality, passenger demand deviates significantly from predictions, especially during a disaster. Disastrous situations such as flood in Zhengzhou, China in 2022 has created not only unprecedented effect on Zhengzhou railway station itself, which is a major railway hub in China, but also other major hubs connected to Zhengzhou, e.g., Xi'an, the closest hub west of Zhengzhou. In this study, we define a real-time demand-responsive (RTDR) railway rescheduling problem focusing two specific aspects, namely, volatility of the demand, and management of station crowdedness. For the first time, we propose a data-driven approach using real-time mobile data (MD) to deal with this RTDR problem. A hierarchical deep reinforcement learning (HDRL) framework is designed to perform real-time rescheduling in a demand-responsive manner. The use of MD has enabled the modelling of passenger dynamics in response to train delays and station crowdedness, and a real-time optimisation for rescheduling of train services in view of the change in demand as a result of passengers' behavioural response to disruption. Results show that the agent can steadily satisfy over 62% of the demand with only 61% of the original rolling stock, ensuring continuous operations without overcrowding. Moreover, the agent exhibits adaptability when transferred to a new environment with increased demand, highlighting its effectiveness in addressing unforeseen disruptions in real-time settings.  ( 3 min )

The "pretrain-then-finetune" paradigm is commonly adopted in the deployment of large language models. Low-Rank Adaptation (LoRA), a parameter-efficient fine-tuning method, is often employed to adapt a base model to a multitude of tasks, resulting in a substantial collection of LoRA adapters derived from one base model. We observe that this paradigm presents significant opportunities for batched inference during serving. To capitalize on these opportunities, we present S-LoRA, a system designed for the scalable serving of many LoRA adapters. S-LoRA stores all adapters in the main memory and fetches the adapters used by the currently running queries to the GPU memory. To efficiently use the GPU memory and reduce fragmentation, S-LoRA proposes Unified Paging. Unified Paging uses a unified memory pool to manage dynamic adapter weights with different ranks and KV cache tensors with varying sequence lengths. Additionally, S-LoRA employs a novel tensor parallelism strategy and highly optimized custom CUDA kernels for heterogeneous batching of LoRA computation. Collectively, these features enable S-LoRA to serve thousands of LoRA adapters on a single GPU or across multiple GPUs with a small overhead. Compared to state-of-the-art libraries such as HuggingFace PEFT and vLLM (with naive support of LoRA serving), S-LoRA can improve the throughput by up to 4 times and increase the number of served adapters by several orders of magnitude. As a result, S-LoRA enables scalable serving of many task-specific fine-tuned models and offers the potential for large-scale customized fine-tuning services. The code is available at https://github.com/S-LoRA/S-LoRA  ( 3 min )

Neural video codecs have recently become competitive with standard codecs such as HEVC in the low-delay setting. However, most neural codecs are large floating-point networks that use pixel-dense warping operations for temporal modeling, making them too computationally expensive for deployment on mobile devices. Recent work has demonstrated that running a neural decoder in real time on mobile is feasible, but shows this only for 720p RGB video. This work presents the first neural video codec that decodes 1080p YUV420 video in real time on a mobile device. Our codec relies on two major contributions. First, we design an efficient codec that uses a block-based motion compensation algorithm available on the warping core of the mobile accelerator, and we show how to quantize this model to integer precision. Second, we implement a fast decoder pipeline that concurrently runs neural network components on the neural signal processor, parallel entropy coding on the mobile GPU, and warping on the warping core. Our codec outperforms the previous on-device codec by a large margin with up to 48% BD-rate savings, while reducing the MAC count on the receiver side by $10 \times$. We perform a careful ablation to demonstrate the effect of the introduced motion compensation scheme, and ablate the effect of model quantization.  ( 3 min )

It is commonly recognized that the expressiveness of deep neural networks is contingent upon a range of factors, encompassing their depth, width, and other relevant considerations. Currently, the practical performance of the majority of deep neural networks remains uncertain. For ReLU (Rectified Linear Unit) networks with piecewise linear activations, the number of linear convex regions serves as a natural metric to gauge the network's expressivity. In this paper, we count the number of linear convex regions in deep neural networks based on ReLU. In particular, we prove that for any one-dimensional input, there exists a minimum threshold for the number of neurons required to express it. We also empirically observe that for the same network, intricate inputs hinder its capacity to express linear regions. Furthermore, we unveil the iterative refinement process of decision boundaries in ReLU networks during training. We aspire for our research to serve as an inspiration for network optimization endeavors and aids in the exploration and analysis of the behaviors exhibited by deep networks.  ( 2 min )

The growing demand for Large Language Models (LLMs) in applications such as content generation, intelligent chatbots, and sentiment analysis poses considerable challenges for LLM service providers. To efficiently use GPU resources and boost throughput, batching multiple requests has emerged as a popular paradigm; to further speed up batching, LLM quantization techniques reduce memory consumption and increase computing capacity. However, prevalent quantization schemes (e.g., 8-bit weight-activation quantization) cannot fully leverage the capabilities of modern GPUs, such as 4-bit integer operators, resulting in sub-optimal performance. To maximize LLMs' serving throughput, we introduce Atom, a low-bit quantization method that achieves high throughput improvements with negligible accuracy loss. Atom significantly boosts serving throughput by using low-bit operators and considerably reduces memory consumption via low-bit quantization. It attains high accuracy by applying a novel mixed-precision and fine-grained quantization process. We evaluate Atom on 4-bit weight-activation quantization setups in the serving context. Atom improves end-to-end throughput by up to $7.73\times$ compared to the FP16 and by $2.53\times$ compared to INT8 quantization, while maintaining the same latency target.  ( 2 min )

We designed and tested a system for real-time control of a user interface by extracting surface electromyographic (sEMG) activity from eight electrodes in a wrist-band configuration. sEMG data were streamed into a machine-learning algorithm that classified hand gestures in real-time. After an initial model calibration, participants were presented with one of three types of feedback during a human-learning stage: veridical feedback, in which predicted probabilities from the gesture classification algorithm were displayed without alteration, modified feedback, in which we applied a hidden augmentation of error to these probabilities, and no feedback. User performance was then evaluated in a series of minigames, in which subjects were required to use eight gestures to manipulate their game avatar to complete a task. Experimental results indicated that, relative to baseline, the modified feedback condition led to significantly improved accuracy and improved gesture class separation. These findings suggest that real-time feedback in a gamified user interface with manipulation of feedback may enable intuitive, rapid, and accurate task acquisition for sEMG-based gesture recognition applications.  ( 2 min )

Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to generate diverse candidates, in particular in small molecule generation tasks. In this work, we introduce double GFlowNets (DGFNs). Drawing inspiration from reinforcement learning and Double Deep Q-Learning, we introduce a target network used to sample trajectories, while updating the main network with these sampled trajectories. Empirical results confirm that DGFNs effectively enhance exploration in sparse reward domains and high-dimensional state spaces, both challenging aspects of de-novo design in drug discovery.  ( 2 min )

Keyword spotting systems often struggle to generalize to a diverse population with various accents and age groups. To address this challenge, we propose a novel approach that integrates speaker information into keyword spotting using Feature-wise Linear Modulation (FiLM), a recent method for learning from multiple sources of information. We explore both Text-Dependent and Text-Independent speaker recognition systems to extract speaker information, and we experiment on extracting this information from both the input audio and pre-enrolled user audio. We evaluate our systems on a diverse dataset and achieve a substantial improvement in keyword detection accuracy, particularly among underrepresented speaker groups. Moreover, our proposed approach only requires a small 1% increase in the number of parameters, with a minimum impact on latency and computational cost, which makes it a practical solution for real-world applications.  ( 2 min )

Maximum mean discrepancy (MMD) refers to a general class of nonparametric two-sample tests that are based on maximizing the mean difference over samples from one distribution $P$ versus another $Q$, over all choices of data transformations $f$ living in some function space $\mathcal{F}$. Inspired by recent work that connects what are known as functions of $\textit{Radon bounded variation}$ (RBV) and neural networks (Parhi and Nowak, 2021, 2023), we study the MMD defined by taking $\mathcal{F}$ to be the unit ball in the RBV space of a given smoothness order $k \geq 0$. This test, which we refer to as the $\textit{Radon-Kolmogorov-Smirnov}$ (RKS) test, can be viewed as a generalization of the well-known and classical Kolmogorov-Smirnov (KS) test to multiple dimensions and higher orders of smoothness. It is also intimately connected to neural networks: we prove that the witness in the RKS test -- the function $f$ achieving the maximum mean difference -- is always a ridge spline of degree $k$, i.e., a single neuron in a neural network. This allows us to leverage the power of modern deep learning toolkits to (approximately) optimize the criterion that underlies the RKS test. We prove that the RKS test has asymptotically full power at distinguishing any distinct pair $P \not= Q$ of distributions, derive its asymptotic null distribution, and carry out extensive experiments to elucidate the strengths and weakenesses of the RKS test versus the more traditional kernel MMD test.  ( 3 min )

Preserving training dynamics across batch sizes is an important tool for practical machine learning as it enables the trade-off between batch size and wall-clock time. This trade-off is typically enabled by a scaling rule, for example, in stochastic gradient descent, one should scale the learning rate linearly with the batch size. Another important machine learning tool is the model EMA, a functional copy of a target model, whose parameters move towards those of its target model according to an Exponential Moving Average (EMA) at a rate parameterized by a momentum hyperparameter. This model EMA can improve the robustness and generalization of supervised learning, stabilize pseudo-labeling, and provide a learning signal for Self-Supervised Learning (SSL). Prior works have not considered the optimization of the model EMA when performing scaling, leading to different training dynamics across batch sizes and lower model performance. In this work, we provide a scaling rule for optimization in the presence of a model EMA and demonstrate the rule's validity across a range of architectures, optimizers, and data modalities. We also show the rule's validity where the model EMA contributes to the optimization of the target model, enabling us to train EMA-based pseudo-labeling and SSL methods at small and large batch sizes. For SSL, we enable training of BYOL up to batch size 24,576 without sacrificing performance, a 6$\times$ wall-clock time reduction under idealized hardware settings.  ( 3 min )

We analyze the dynamics of finite width effects in wide but finite feature learning neural networks. Starting from a dynamical mean field theory description of infinite width deep neural network kernel and prediction dynamics, we provide a characterization of the $O(1/\sqrt{\text{width}})$ fluctuations of the DMFT order parameters over random initializations of the network weights. Our results, while perturbative in width, unlike prior analyses, are non-perturbative in the strength of feature learning. In the lazy limit of network training, all kernels are random but static in time and the prediction variance has a universal form. However, in the rich, feature learning regime, the fluctuations of the kernels and predictions are dynamically coupled with a variance that can be computed self-consistently. In two layer networks, we show how feature learning can dynamically reduce the variance of the final tangent kernel and final network predictions. We also show how initialization variance can slow down online learning in wide but finite networks. In deeper networks, kernel variance can dramatically accumulate through subsequent layers at large feature learning strengths, but feature learning continues to improve the signal-to-noise ratio of the feature kernels. In discrete time, we demonstrate that large learning rate phenomena such as edge of stability effects can be well captured by infinite width dynamics and that initialization variance can decrease dynamically. For CNNs trained on CIFAR-10, we empirically find significant corrections to both the bias and variance of network dynamics due to finite width.  ( 3 min )

Models that rely solely on pairwise relationships often fail to capture the complete statistical structure of the complex multivariate data found in diverse domains, such as socio-economic, ecological, or biomedical systems. Non-trivial dependencies between groups of more than two variables can play a significant role in the analysis and modelling of such systems, yet extracting such high-order interactions from data remains challenging. Here, we introduce a hierarchy of $d$-order ($d \geq 2$) interaction measures, increasingly inclusive of possible factorisations of the joint probability distribution, and define non-parametric, kernel-based tests to establish systematically the statistical significance of $d$-order interactions. We also establish mathematical links with lattice theory, which elucidate the derivation of the interaction measures and their composite permutation tests; clarify the connection of simplicial complexes with kernel matrix centring; and provide a means to enhance computational efficiency. We illustrate our results numerically with validations on synthetic data, and through an application to neuroimaging data.  ( 2 min )

Audio-based classification techniques on body sounds have long been studied to aid in the diagnosis of respiratory diseases. While most research is centered on the use of cough as the main biomarker, other body sounds also have the potential to detect respiratory diseases. Recent studies on COVID-19 have shown that breath and speech sounds, in addition to cough, correlate with the disease. Our study proposes Fused Audio Instance and Representation (FAIR) as a method for respiratory disease detection. FAIR relies on constructing a joint feature vector from various body sounds represented in waveform and spectrogram form. We conducted experiments on the use case of COVID-19 detection by combining waveform and spectrogram representation of body sounds. Our findings show that the use of self-attention to combine extracted features from cough, breath, and speech sounds leads to the best performance with an Area Under the Receiver Operating Characteristic Curve (AUC) score of 0.8658, a sensitivity of 0.8057, and a specificity of 0.7958. Compared to models trained solely on spectrograms or waveforms, the use of both representations results in an improved AUC score, demonstrating that combining spectrogram and waveform representation helps to enrich the extracted features and outperforms the models that use only one representation.  ( 3 min )

We introduce the Sparsity Roofline, a visual performance model for evaluating sparsity in neural networks. The Sparsity Roofline jointly models network accuracy, sparsity, and theoretical inference speedup. Our approach does not require implementing and benchmarking optimized kernels, and the theoretical speedup becomes equal to the actual speedup when the corresponding dense and sparse kernels are well-optimized. We achieve this through a novel analytical model for predicting sparse network performance, and validate the predicted speedup using several real-world computer vision architectures pruned across a range of sparsity patterns and degrees. We demonstrate the utility and ease-of-use of our model through two case studies: (1) we show how machine learning researchers can predict the performance of unimplemented or unoptimized block-structured sparsity patterns, and (2) we show how hardware designers can predict the performance implications of new sparsity patterns and sparse data formats in hardware. In both scenarios, the Sparsity Roofline helps performance experts identify sparsity regimes with the highest performance potential.  ( 2 min )

Image decomposition plays a crucial role in various computer vision tasks, enabling the analysis and manipulation of visual content at a fundamental level. Overlapping images, which occur when multiple objects or scenes partially occlude each other, pose unique challenges for decomposition algorithms. The task intensifies when working with sparse images, where the scarcity of meaningful information complicates the precise extraction of components. This paper presents a solution that leverages the power of deep learning to accurately extract individual objects within multi-dimensional overlapping-sparse images, with a direct application in high-energy physics with decomposition of overlaid elementary particles obtained from imaging detectors. In particular, the proposed approach tackles a highly complex yet unsolved problem: identifying and measuring independent particles at the vertex of neutrino interactions, where one expects to observe detector images with multiple indiscernible overlapping charged particles. By decomposing the image of the detector activity at the vertex through deep learning, it is possible to infer the kinematic parameters of the identified low-momentum particles - which otherwise would remain neglected - and enhance the reconstructed energy resolution of the neutrino event. We also present an additional step - that can be tuned directly on detector data - combining the above method with a fully-differentiable generative model to improve the image decomposition further and, consequently, the resolution of the measured parameters, achieving unprecedented results. This improvement is crucial for precisely measuring the parameters that govern neutrino flavour oscillations and searching for asymmetries between matter and antimatter.  ( 3 min )

While GPT-4V(ision) impressively models both visual and textual information simultaneously, it's hallucination behavior has not been systematically assessed. To bridge this gap, we introduce a new benchmark, namely, the Bias and Interference Challenges in Visual Language Models (Bingo). This benchmark is designed to evaluate and shed light on the two common types of hallucinations in visual language models: bias and interference. Here, bias refers to the model's tendency to hallucinate certain types of responses, possibly due to imbalance in its training data. Interference pertains to scenarios where the judgment of GPT-4V(ision) can be disrupted due to how the text prompt is phrased or how the input image is presented. We identify a notable regional bias, whereby GPT-4V(ision) is better at interpreting Western images or images with English writing compared to images from other countries or containing text in other languages. Moreover, GPT-4V(ision) is vulnerable to leading questions and is often confused when interpreting multiple images together. Popular mitigation approaches, such as self-correction and chain-of-thought reasoning, are not effective in resolving these challenges. We also identified similar biases and interference vulnerabilities with LLaVA and Bard. Our results characterize the hallucination challenges in GPT-4V(ision) and state-of-the-art visual-language models, and highlight the need for new solutions. The Bingo benchmark is available at https://github.com/gzcch/Bingo.  ( 3 min )

Minimum Description Length (MDL) estimators, using two-part codes for universal coding, are analyzed. For general parametric families under certain regularity conditions, we introduce a two-part code whose regret is close to the minimax regret, where regret of a code with respect to a target family M is the difference between the code length of the code and the ideal code length achieved by an element in M. This is a generalization of the result for exponential families by Gr\"unwald. Our code is constructed by using an augmented structure of M with a bundle of local exponential families for data description, which is not needed for exponential families. This result gives a tight upper bound on risk and loss of the MDL estimators based on the theory introduced by Barron and Cover in 1991. Further, we show that we can apply the result to mixture families, which are a typical example of non-exponential families.  ( 2 min )

The evolution of wireless mobile networks towards cloudification, where Radio Access Network (RAN) functions can be hosted at either a central or distributed locations, offers many benefits like low cost deployment, higher capacity, and improved hardware utilization. Nevertheless, the flexibility in the functional deployment comes at the cost of stringent fronthaul (FH) capacity and latency requirements. One possible approach to deal with these rigorous constraints is to use FH compression techniques. To ensure that FH capacity and latency requirements are met, more FH compression is applied during high load, while less compression is applied during medium and low load to improve FH utilization and air interface performance. In this paper, a model-free deep reinforcement learning (DRL) based FH compression (DRL-FC) framework is proposed that dynamically controls FH compression through various configuration parameters such as modulation order, precoder granularity, and precoder weight quantization that affect both FH load and air interface performance. Simulation results show that DRL-FC exhibits significantly higher FH utilization (68.7% on average) and air interface throughput than a reference scheme (i.e. with no applied compression) across different FH load levels. At the same time, the proposed DRL-FC framework is able to meet the predefined FH latency constraints (in our case set to 260 $\mu$s) under various FH loads.  ( 2 min )

Drug synergy, characterized by the amplified combined effect of multiple drugs, is critically important for optimizing therapeutic outcomes. Limited data on drug synergy, arising from the vast number of possible drug combinations and testing costs, motivate the need for predictive methods. In this work, we introduce CongFu, a novel Conditional Graph Fusion Layer, designed to predict drug synergy. CongFu employs an attention mechanism and a bottleneck to extract local graph contexts and conditionally fuse graph data within a global context. Its modular architecture enables flexible replacement of layer modules, including readouts and graph encoders, facilitating customization for diverse applications. To evaluate the performance of CongFu, we conduct comprehensive experiments on four datasets, encompassing three distinct setups for drug synergy prediction. CongFu achieves state-of-the-art results on 11 out of 12 benchmark datasets, demonstrating its ability to capture intricate patterns of drug synergy. Through ablation studies, we validate the significance of individual layer components, affirming their contributions to overall predictive performance. Finally, we propose an explainability strategy for elucidating the effect of drugs on genes. By addressing the challenge of predicting drug synergy in untested drug pairs and utilizing our proposed explainability approach, CongFu opens new avenues for optimizing drug combinations and advancing personalized medicine.

Recent advances in machine learning for molecules exhibit great potential for facilitating drug discovery from in silico predictions. Most models for molecule generation rely on the decomposition of molecules into frequently occurring substructures (motifs), from which they generate novel compounds. While motif representations greatly aid in learning molecular distributions, such methods struggle to represent substructures beyond their known motif set. To alleviate this issue and increase flexibility across datasets, we propose MAGNet, a graph-based model that generates abstract shapes before allocating atom and bond types. To this end, we introduce a novel factorisation of the molecules' data distribution that accounts for the molecules' global context and facilitates learning adequate assignments of atoms and bonds onto shapes. Despite the added complexity of shape abstractions, MAGNet outperforms most other graph-based approaches on standard benchmarks. Importantly, we demonstrate that MAGNet's improved expressivity leads to molecules with more topologically distinct structures and, at the same time, diverse atom and bond assignments.

The integration of Artificial Intelligence (AI) into education is a recent development, with chatbots emerging as a noteworthy addition to this transformative landscape. As online learning platforms rapidly advance, students need to adapt swiftly to excel in this dynamic environment. Consequently, understanding the acceptance of chatbots, particularly those employing Large Language Model (LLM) such as Chat Generative Pretrained Transformer (ChatGPT), Google Bard, and other interactive AI technologies, is of paramount importance. However, existing research on chatbots in education has overlooked key behavior-related aspects, such as Optimism, Innovativeness, Discomfort, Insecurity, Transparency, Ethics, Interaction, Engagement, and Accuracy, creating a significant literature gap. To address this gap, this study employs Partial Least Squares Structural Equation Modeling (PLS-SEM) to investigate the determinant of chatbots adoption in education among students, considering the Technology Readiness Index (TRI) and Technology Acceptance Model (TAM). Utilizing a five-point Likert scale for data collection, we gathered a total of 185 responses, which were analyzed using R-Studio software. We established 12 hypotheses to achieve its objectives. The results showed that Optimism and Innovativeness are positively associated with Perceived Ease of Use (PEOU) and Perceived Usefulness (PU). Conversely, Discomfort and Insecurity negatively impact PEOU, with only Insecurity negatively affecting PU. These findings provide insights for future technology designers, elucidating critical user behavior factors influencing chatbots adoption and utilization in educational contexts.

Vision-language alignment learned from image-caption pairs has been shown to benefit tasks like object recognition and detection. Methods are mostly evaluated in terms of how well object class names are learned, but captions also contain rich attribute context that should be considered when learning object alignment. It is unclear how methods use this context in learning, as well as whether models succeed when tasks require attribute and object understanding. To address this gap, we conduct extensive analysis of the role of attributes in vision-language models. We specifically measure model sensitivity to the presence and meaning of attribute context, gauging influence on object embeddings through unsupervised phrase grounding and classification via description methods. We further evaluate the utility of attribute context in training for open-vocabulary object detection, fine-grained text-region retrieval, and attribution tasks. Our results show that attribute context can be wasted when learning alignment for detection, attribute meaning is not adequately considered in embeddings, and describing classes by only their attributes is ineffective. A viable strategy that we find to increase benefits from attributes is contrastive training with adjective-based negative captions.

We study the size of a neural network needed to approximate the maximum function over $d$ inputs, in the most basic setting of approximating with respect to the $L_2$ norm, for continuous distributions, for a network that uses ReLU activations. We provide new lower and upper bounds on the width required for approximation across various depths. Our results establish new depth separations between depth 2 and 3, and depth 3 and 5 networks, as well as providing a depth $\mathcal{O}(\log(\log(d)))$ and width $\mathcal{O}(d)$ construction which approximates the maximum function. Our depth separation results are facilitated by a new lower bound for depth 2 networks approximating the maximum function over the uniform distribution, assuming an exponential upper bound on the size of the weights. Furthermore, we are able to use this depth 2 lower bound to provide tight bounds on the number of neurons needed to approximate the maximum by a depth 3 network. Our lower bounds are of potentially broad interest as they apply to the widely studied and used \emph{max} function, in contrast to many previous results that base their bounds on specially constructed or pathological functions and distributions.

Deep Neural Networks and Reinforcement Learning methods have empirically shown great promise in tackling challenging combinatorial problems. In those methods a deep neural network is used as a solution generator which is then trained by gradient-based methods (e.g., policy gradient) to successively obtain better solution distributions. In this work we introduce a novel theoretical framework for analyzing the effectiveness of such methods. We ask whether there exist generative models that (i) are expressive enough to generate approximately optimal solutions; (ii) have a tractable, i.e, polynomial in the size of the input, number of parameters; (iii) their optimization landscape is benign in the sense that it does not contain sub-optimal stationary points. Our main contribution is a positive answer to this question. Our result holds for a broad class of combinatorial problems including Max- and Min-Cut, Max-$k$-CSP, Maximum-Weight-Bipartite-Matching, and the Traveling Salesman Problem. As a byproduct of our analysis we introduce a novel regularization process over vanilla gradient descent and provide theoretical and experimental evidence that it helps address vanishing-gradient issues and escape bad stationary points.

Recently, there has been a growing focus on determining the minimum width requirements for achieving the universal approximation property in deep, narrow Multi-Layer Perceptrons (MLPs). Among these challenges, one particularly challenging task is approximating a continuous function under the uniform norm, as indicated by the significant disparity between its lower and upper bounds. To address this problem, we propose a framework that simplifies finding the minimum width for deep, narrow MLPs into determining a purely geometrical function denoted as $w(d_x, d_y)$. This function relies solely on the input and output dimensions, represented as $d_x$ and $d_y$, respectively. Two key steps support this framework. First, we demonstrate that deep, narrow MLPs, when provided with a small additional width, can approximate a $C^2$-diffeomorphism. Subsequently, using this result, we prove that $w(d_x, d_y)$ equates to the optimal minimum width required for deep, narrow MLPs to achieve universality. By employing the aforementioned framework and the Whitney embedding theorem, we provide an upper bound for the minimum width, given by $\operatorname{max}(2d_x+1, d_y) + \alpha(\sigma)$, where $0 \leq \alpha(\sigma) \leq 2$ represents a constant depending on the activation function. Furthermore, we provide a lower bound of $4$ for the minimum width in cases where the input and output dimensions are both equal to two.

Large language models (LLMs) frequently hallucinate on abstractive summarization tasks such as document-based question-answering, meeting summarization, and clinical report generation, even though all necessary information is included in context. However, optimizing LLMs to hallucinate less on these tasks is challenging, as hallucination is hard to efficiently evaluate at each optimization step. In this work, we show that reducing hallucination on a synthetic task can also reduce hallucination on real-world downstream tasks. Our method, SynTra, first designs a synthetic task where hallucinations are easy to elicit and measure. It next optimizes the LLM's system message via prefix-tuning on the synthetic task, and finally transfers the system message to realistic, hard-to-optimize tasks. Across three realistic abstractive summarization tasks, SynTra reduces hallucination for two 13B-parameter LLMs using only a synthetic retrieval task for supervision. We also find that optimizing the system message rather than the model weights can be critical; fine-tuning the entire model on the synthetic task can counterintuitively increase hallucination. Overall, SynTra demonstrates that the extra flexibility of working with synthetic data can help mitigate undesired behaviors in practice.

Achieving fairness in sequential-decision making systems within Human-in-the-Loop (HITL) environments is a critical concern, especially when multiple humans with different behavior and expectations are affected by the same adaptation decisions in the system. This human variability factor adds more complexity since policies deemed fair at one point in time may become discriminatory over time due to variations in human preferences resulting from inter- and intra-human variability. This paper addresses the fairness problem from an equity lens, considering human behavior variability, and the changes in human preferences over time. We propose FAIRO, a novel algorithm for fairness-aware sequential-decision making in HITL adaptation, which incorporates these notions into the decision-making process. In particular, FAIRO decomposes this complex fairness task into adaptive sub-tasks based on individual human preferences through leveraging the Options reinforcement learning framework. We design FAIRO to generalize to three types of HITL application setups that have the shared adaptation decision problem. Furthermore, we recognize that fairness-aware policies can sometimes conflict with the application's utility. To address this challenge, we provide a fairness-utility tradeoff in FAIRO, allowing system designers to balance the objectives of fairness and utility based on specific application requirements. Extensive evaluations of FAIRO on the three HITL applications demonstrate its generalizability and effectiveness in promoting fairness while accounting for human variability. On average, FAIRO can improve fairness compared with other methods across all three applications by 35.36%.

Usually, programming languages have official documentation to guide developers with APIs, methods, and classes. However, researchers identified insufficient or inadequate documentation examples and flaws with the API's complex structure as barriers to learning an API. As a result, developers may consult other sources (StackOverflow, GitHub, etc.) to learn more about an API. Recent research studies have shown that unofficial documentation is a valuable source of information for generating code summaries. We, therefore, have been motivated to leverage such a type of documentation along with deep learning techniques towards generating high-quality summaries for APIs discussed in informal documentation. This paper proposes an automatic approach using the BART algorithm, a state-of-the-art transformer model, to generate summaries for APIs discussed in StackOverflow. We built an oracle of human-generated summaries to evaluate our approach against it using ROUGE and BLEU metrics which are the most widely used evaluation metrics in text summarization. Furthermore, we evaluated our summaries empirically against a previous work in terms of quality. Our findings demonstrate that using deep learning algorithms can improve summaries' quality and outperform the previous work by an average of %57 for Precision, %66 for Recall, and %61 for F-measure, and it runs 4.4 times faster.

Prototype-based meta-learning has emerged as a powerful technique for addressing few-shot learning challenges. However, estimating a deterministic prototype using a simple average function from a limited number of examples remains a fragile process. To overcome this limitation, we introduce ProtoDiff, a novel framework that leverages a task-guided diffusion model during the meta-training phase to gradually generate prototypes, thereby providing efficient class representations. Specifically, a set of prototypes is optimized to achieve per-task prototype overfitting, enabling accurately obtaining the overfitted prototypes for individual tasks. Furthermore, we introduce a task-guided diffusion process within the prototype space, enabling the meta-learning of a generative process that transitions from a vanilla prototype to an overfitted prototype. ProtoDiff gradually generates task-specific prototypes from random noise during the meta-test stage, conditioned on the limited samples available for the new task. Furthermore, to expedite training and enhance ProtoDiff's performance, we propose the utilization of residual prototype learning, which leverages the sparsity of the residual prototype. We conduct thorough ablation studies to demonstrate its ability to accurately capture the underlying prototype distribution and enhance generalization. The new state-of-the-art performance on within-domain, cross-domain, and few-task few-shot classification further substantiates the benefit of ProtoDiff.

Offline reinforcement learning (RL) has received considerable attention in recent years due to its attractive capability of learning policies from offline datasets without environmental interactions. Despite some success in the single-agent setting, offline multi-agent RL (MARL) remains to be a challenge. The large joint state-action space and the coupled multi-agent behaviors pose extra complexities for offline policy optimization. Most existing offline MARL studies simply apply offline data-related regularizations on individual agents, without fully considering the multi-agent system at the global level. In this work, we present OMIGA, a new offline m ulti-agent RL algorithm with implicit global-to-local v alue regularization. OMIGA provides a principled framework to convert global-level value regularization into equivalent implicit local value regularizations and simultaneously enables in-sample learning, thus elegantly bridging multi-agent value decomposition and policy learning with offline regularizations. Based on comprehensive experiments on the offline multi-agent MuJoCo and StarCraft II micro-management tasks, we show that OMIGA achieves superior performance over the state-of-the-art offline MARL methods in almost all tasks.

We present an exact Bayesian inference method for discrete statistical models, which can find exact solutions to a large class of discrete inference problems, even with infinite support and continuous priors. To express such models, we introduce a probabilistic programming language that supports discrete and continuous sampling, discrete observations, affine functions, (stochastic) branching, and conditioning on discrete events. Our key tool is probability generating functions: they provide a compact closed-form representation of distributions that are definable by programs, thus enabling the exact computation of posterior probabilities, expectation, variance, and higher moments. Our inference method is provably correct and fully automated in a tool called Genfer, which uses automatic differentiation (specifically, Taylor polynomials), but does not require computer algebra. Our experiments show that Genfer is often faster than the existing exact inference tools PSI, Dice, and Prodigy. On a range of real-world inference problems that none of these exact tools can solve, Genfer's performance is competitive with approximate Monte Carlo methods, while avoiding approximation errors.

Energy-based models (EBMs) have experienced a resurgence within machine learning in recent years, including as a promising alternative for probabilistic regression. However, energy-based regression requires a proposal distribution to be manually designed for training, and an initial estimate has to be provided at test-time. We address both of these issues by introducing a conceptually simple method to automatically learn an effective proposal distribution, which is parameterized by a separate network head. To this end, we derive a surprising result, leading to a unified training objective that jointly minimizes the KL divergence from the proposal to the EBM, and the negative log-likelihood of the EBM. At test-time, we can then employ importance sampling with the trained proposal to efficiently evaluate the learned EBM and produce stand-alone predictions. Furthermore, we utilize our derived training objective to learn mixture density networks (MDNs) with a jointly trained energy-based teacher, consistently outperforming conventional MDN training on four real-world regression tasks within computer vision. Code is available at https://github.com/fregu856/ebms_proposals.

The Eikonal equation plays a central role in seismic wave propagation and hypocenter localization, a crucial aspect of efficient earthquake early warning systems. Despite recent progress, real-time earthquake localization remains challenging due to the need to learn a generalizable Eikonal operator. We introduce a novel deep learning architecture, Enriched-DeepONet (En-DeepONet), addressing the limitations of current operator learning models in dealing with moving-solution operators. Leveraging addition and subtraction operations and a novel `root' network, En-DeepONet is particularly suitable for learning such operators and achieves up to four orders of magnitude improved accuracy without increased training cost. We demonstrate the effectiveness of En-DeepONet in earthquake localization under variable velocity and arrival time conditions. Our results indicate that En-DeepONet paves the way for real-time hypocenter localization for velocity models of practical interest. The proposed method represents a significant advancement in operator learning that is applicable to a gamut of scientific problems, including those in seismology, fracture mechanics, and phase-field problems.

Length generalization, the ability to generalize from small training context sizes to larger ones, is a critical challenge in the development of Transformer-based language models. Positional encoding (PE) has been identified as a major factor influencing length generalization, but the exact impact of different PE schemes on extrapolation in downstream tasks remains unclear. In this paper, we conduct a systematic empirical study comparing the length generalization performance of decoder-only Transformers with five different position encoding approaches including Absolute Position Embedding (APE), T5's Relative PE, ALiBi, and Rotary, in addition to Transformers without positional encoding (NoPE). Our evaluation encompasses a battery of reasoning and mathematical tasks. Our findings reveal that the most commonly used positional encoding methods, such as ALiBi, Rotary, and APE, are not well suited for length generalization in downstream tasks. More importantly, NoPE outperforms other explicit positional encoding methods while requiring no additional computation. We theoretically demonstrate that NoPE can represent both absolute and relative PEs, but when trained with SGD, it mostly resembles T5's relative PE attention patterns. Finally, we find that scratchpad is not always helpful to solve length generalization and its format highly impacts the model's performance. Overall, our work suggests that explicit position embeddings are not essential for decoder-only Transformers to generalize well to longer sequences.

Semantic communication (SC) aims to communicate reliably with minimal data transfer while simultaneously providing seamless connectivity to heterogeneous services and users. In this paper, a novel emergent SC (ESC) system framework is proposed and is composed of a signaling game for emergent language design and a neuro-symbolic (NeSy) artificial intelligence (AI) approach for causal reasoning. In order to design the language, the signaling game is solved using an alternating maximization between the communicating node's utilities. The emergent language helps create a context-aware transmit vocabulary (minimal semantic representation) and aids the reasoning process (enabling generalization to unseen scenarios) by splitting complex messages into simpler reasoning tasks for the receiver. The causal description at the transmitter is then modeled (a neural component) as a posterior distribution of the relevant attributes present in the data. Using the reconstructed causal state, the receiver evaluates a set of logical formulas (symbolic part) to execute its task. The nodes NeSy reasoning components are implemented by the recently proposed AI tool called Generative Flow Networks, and they are optimized for higher semantic reliability. The ESC system is designed to enhance the novel metrics of semantic information, reliability, distortion and similarity that are designed using rigorous algebraic properties from category theory thereby generalizing the metrics beyond Shannon's notion of uncertainty. Simulation results validate the ability of ESC to communicate efficiently (with reduced bits) and achieve better semantic reliability than conventional wireless and state-of-the-art systems that do not exploit causal reasoning capabilities.

The pursuit of fairness in machine learning models has emerged as a critical research challenge in different applications ranging from bank loan approval to face detection. Despite the widespread adoption of artificial intelligence algorithms across various domains, concerns persist regarding the presence of biases and discrimination within these models. To address this pressing issue, this study introduces a novel method called "The Fairness Stitch (TFS)" to enhance fairness in deep learning models. This method combines model stitching and training jointly, while incorporating fairness constraints. In this research, we assess the effectiveness of our proposed method by conducting a comprehensive evaluation of two well-known datasets, CelebA and UTKFace. We systematically compare the performance of our approach with the existing baseline method. Our findings reveal a notable improvement in achieving a balanced trade-off between fairness and performance, highlighting the promising potential of our method to address bias-related challenges and foster equitable outcomes in machine learning models. This paper poses a challenge to the conventional wisdom of the effectiveness of the last layer in deep learning models for de-biasing.

Large Language Models (LLMs) are often misleadingly recognized as having a personality or a set of values. We argue that an LLM can be seen as a superposition of perspectives with different values and personality traits. LLMs exhibit context-dependent values and personality traits that change based on the induced perspective (as opposed to humans, who tend to have more coherent values and personality traits across contexts). We introduce the concept of perspective controllability, which refers to a model's affordance to adopt various perspectives with differing values and personality traits. In our experiments, we use questionnaires from psychology (PVQ, VSM, IPIP) to study how exhibited values and personality traits change based on different perspectives. Through qualitative experiments, we show that LLMs express different values when those are (implicitly or explicitly) implied in the prompt, and that LLMs express different values even when those are not obviously implied (demonstrating their context-dependent nature). We then conduct quantitative experiments to study the controllability of different models (GPT-4, GPT-3.5, OpenAssistant, StableVicuna, StableLM), the effectiveness of various methods for inducing perspectives, and the smoothness of the models' drivability. We conclude by examining the broader implications of our work and outline a variety of associated scientific questions. The project website is available at https://sites.google.com/view/llm-superpositions .

We present a novel framework to overcome the limitations of equivariant architectures in learning functions with group symmetries. In contrary to equivariant architectures, we use an arbitrary base model such as an MLP or a transformer and symmetrize it to be equivariant to the given group by employing a small equivariant network that parameterizes the probabilistic distribution underlying the symmetrization. The distribution is end-to-end trained with the base model which can maximize performance while reducing sample complexity of symmetrization. We show that this approach ensures not only equivariance to given group but also universal approximation capability in expectation. We implement our method on various base models, including patch-based transformers that can be initialized from pretrained vision transformers, and test them for a wide range of symmetry groups including permutation and Euclidean groups and their combinations. Empirical tests show competitive results against tailored equivariant architectures, suggesting the potential for learning equivariant functions for diverse groups using a non-equivariant universal base architecture. We further show evidence of enhanced learning in symmetric modalities, like graphs, when pretrained from non-symmetric modalities, like vision. Code is available at https://github.com/jw9730/lps.

In the pursuit of accurate experimental and computational data while minimizing effort, there is a constant need for high-fidelity results. However, achieving such results often requires significant computational resources. To address this challenge, this paper proposes a deep operator learning-based framework that requires a limited high-fidelity dataset for training. We introduce a novel physics-guided, bi-fidelity, Fourier-featured Deep Operator Network (DeepONet) framework that effectively combines low and high-fidelity datasets, leveraging the strengths of each. In our methodology, we began by designing a physics-guided Fourier-featured DeepONet, drawing inspiration from the intrinsic physical behavior of the target solution. Subsequently, we train this network to primarily learn the low-fidelity solution, utilizing an extensive dataset. This process ensures a comprehensive grasp of the foundational solution patterns. Following this foundational learning, the low-fidelity deep operator network's output is enhanced using a physics-guided Fourier-featured residual deep operator network. This network refines the initial low-fidelity output, achieving the high-fidelity solution by employing a small high-fidelity dataset for training. Notably, in our framework, we employ the Fourier feature network as the Trunk network for the DeepONets, given its proficiency in capturing and learning the oscillatory nature of the target solution with high precision. We validate our approach using a well-known 2D benchmark cylinder problem, which aims to predict the time trajectories of lift and drag coefficients. The results highlight that the physics-guided Fourier-featured deep operator network, serving as a foundational building block of our framework, possesses superior predictive capability for the lift and drag coefficients compared to its data-driven counterparts.  ( 3 min )

In the paper, we describe in operator form classes of PDEs that admit PINN's error estimation. Also, for $L^p$ spaces, we obtain a Bramble-Hilbert type lemma that is a tool for PINN's residuals bounding.

Disentangled representation learning from speech remains limited despite its importance in many application domains. A key challenge is the lack of speech datasets with known generative factors to evaluate methods. This paper proposes SynSpeech: a novel synthetic speech dataset with ground truth factors enabling research on disentangling speech representations. We plan to present a comprehensive study evaluating supervised techniques using established supervised disentanglement metrics. This benchmark dataset and framework address the gap in the rigorous evaluation of state-of-the-art disentangled speech representation learning methods. Our findings will provide insights to advance this underexplored area and enable more robust speech representations.  ( 2 min )

Graph Neural Networks (GNNs) are increasingly becoming the favorite method for graph learning. They exploit the semi-supervised nature of deep learning, and they bypass computational bottlenecks associated with traditional graph learning methods. In addition to the feature matrix $X$, GNNs need an adjacency matrix $A$ to perform feature propagation. In many cases, the adjacency matrix $A$ is missing. We introduce a graph construction scheme that constructs the adjacency matrix $A$ using unsupervised and supervised information. Unsupervised information characterizes the neighborhood around points. We used Principal Axis trees (PA-trees) as a source for unsupervised information, where we create edges between points falling onto the same leaf node. For supervised information, we used the concept of penalty and intrinsic graphs. A penalty graph connects points with different class labels, whereas an intrinsic graph connects points with the same class labels. We used the penalty and intrinsic graphs to remove or add edges to the graph constructed via PA-tree. We tested this graph construction scheme on two well-known GNNs: 1) Graph Convolutional Network (GCN) and 2) Simple Graph Convolution (SGC). The experiments show that it is better to use SGC because it is faster and delivers better or the same results as GCN. We also test the effect of oversmoothing on both GCN and SGC. We found out that the level of smoothing has to be carefully selected for SGC to avoid oversmoothing.  ( 3 min )

We study property prediction for crystal materials. A crystal structure consists of a minimal unit cell that is repeated infinitely in 3D space. How to accurately represent such repetitive structures in machine learning models remains unresolved. Current methods construct graphs by establishing edges only between nearby nodes, thereby failing to faithfully capture infinite repeating patterns and distant interatomic interactions. In this work, we propose several innovations to overcome these limitations. First, we propose to model physics-principled interatomic potentials directly instead of only using distances as in many existing methods. These potentials include the Coulomb potential, London dispersion potential, and Pauli repulsion potential. Second, we model the complete set of potentials among all atoms, instead of only between nearby atoms as in existing methods. This is enabled by our approximations of infinite potential summations, where we extend the Ewald summation for several potential series approximations with provable error bounds. Finally, we propose to incorporate our computations of complete interatomic potentials into message passing neural networks for representation learning. We perform experiments on the JARVIS and Materials Project benchmarks for evaluation. Results show that the use of interatomic potentials and complete interatomic potentials leads to consistent performance improvements with reasonable computational costs. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS/tree/main/OpenMat/PotNet).

Many important computer vision applications are naturally formulated as regression problems. Within medical imaging, accurate regression models have the potential to automate various tasks, helping to lower costs and improve patient outcomes. Such safety-critical deployment does however require reliable estimation of model uncertainty, also under the wide variety of distribution shifts that might be encountered in practice. Motivated by this, we set out to investigate the reliability of regression uncertainty estimation methods under various real-world distribution shifts. To that end, we propose an extensive benchmark of 8 image-based regression datasets with different types of challenging distribution shifts. We then employ our benchmark to evaluate many of the most common uncertainty estimation methods, as well as two state-of-the-art uncertainty scores from the task of out-of-distribution detection. We find that while methods are well calibrated when there is no distribution shift, they all become highly overconfident on many of the benchmark datasets. This uncovers important limitations of current uncertainty estimation methods, and the proposed benchmark therefore serves as a challenge to the research community. We hope that our benchmark will spur more work on how to develop truly reliable regression uncertainty estimation methods. Code is available at https://github.com/fregu856/regression_uncertainty.

Online learning holds the promise of enabling efficient long-term credit assignment in recurrent neural networks. However, current algorithms fall short of offline backpropagation by either not being scalable or failing to learn long-range dependencies. Here we present a high-performance online learning algorithm that merely doubles the memory and computational requirements of a single inference pass. We achieve this by leveraging independent recurrent modules in multi-layer networks, an architectural motif that has recently been shown to be particularly powerful. Experiments on synthetic memory problems and on the challenging long-range arena benchmark suite reveal that our algorithm performs competitively, establishing a new standard for what can be achieved through online learning. This ability to learn long-range dependencies offers a new perspective on learning in the brain and opens a promising avenue in neuromorphic computing.

Climate models have been key for assessing the impact of climate change and simulating future climate scenarios. The machine learning (ML) community has taken an increased interest in supporting climate scientists' efforts on various tasks such as climate model emulation, downscaling, and prediction tasks. Many of those tasks have been addressed on datasets created with single climate models. However, both the climate science and ML communities have suggested that to address those tasks at scale, we need large, consistent, and ML-ready climate model datasets. Here, we introduce ClimateSet, a dataset containing the inputs and outputs of 36 climate models from the Input4MIPs and CMIP6 archives. In addition, we provide a modular dataset pipeline for retrieving and preprocessing additional climate models and scenarios. We showcase the potential of our dataset by using it as a benchmark for ML-based climate model emulation. We gain new insights about the performance and generalization capabilities of the different ML models by analyzing their performance across different climate models. Furthermore, the dataset can be used to train an ML emulator on several climate models instead of just one. Such a "super emulator" can quickly project new climate change scenarios, complementing existing scenarios already provided to policymakers. We believe ClimateSet will create the basis needed for the ML community to tackle climate-related tasks at scale.

Our goal is to perform out-of-distribution (OOD) detection, i.e., to detect when a robot is operating in environments drawn from a different distribution than the ones used to train the robot. We leverage Probably Approximately Correct (PAC)-Bayes theory to train a policy with a guaranteed bound on performance on the training distribution. Our idea for OOD detection relies on the following intuition: violation of the performance bound on test environments provides evidence that the robot is operating OOD. We formalize this via statistical techniques based on p-values and concentration inequalities. The approach provides guaranteed confidence bounds on OOD detection including bounds on both the false positive and false negative rates of the detector and is task-driven and only sensitive to changes that impact the robot's performance. We demonstrate our approach in simulation and hardware for a grasping task using objects with unfamiliar shapes or poses and a drone performing vision-based obstacle avoidance in environments with wind disturbances and varied obstacle densities. Our examples demonstrate that we can perform task-driven OOD detection within just a handful of trials.  ( 3 min )

Maximizing submodular functions has been increasingly used in many applications of machine learning, such as data summarization, recommendation systems, and feature selection. Moreover, there has been a growing interest in both submodular maximization and dynamic algorithms. In 2020, Monemizadeh and Lattanzi, Mitrovic, Norouzi{-}Fard, Tarnawski, and Zadimoghaddam initiated developing dynamic algorithms for the monotone submodular maximization problem under the cardinality constraint $k$. Recently, there have been some improvements on the topic made by Banihashem, Biabani, Goudarzi, Hajiaghayi, Jabbarzade, and Monemizadeh. In 2022, Chen and Peng studied the complexity of this problem and raised an important open question: "Can we extend [fully dynamic] results (algorithm or hardness) to non-monotone submodular maximization?". We affirmatively answer their question by demonstrating a reduction from maximizing a non-monotone submodular function under the cardinality constraint $k$ to maximizing a monotone submodular function under the same constraint. Through this reduction, we obtain the first dynamic algorithms to solve the non-monotone submodular maximization problem under the cardinality constraint $k$. Our algorithms maintain an $(8+\epsilon)$-approximate of the solution and use expected amortized $O(\epsilon^{-3}k^3\log^3(n)\log(k))$ or $O(\epsilon^{-1}k^2\log^3(k))$ oracle queries per update, respectively. Furthermore, we showcase the benefits of our dynamic algorithm for video summarization and max-cut problems on several real-world data sets.  ( 2 min )

Music has been commonly recognized as a means of expressing emotions. In this sense, an intense debate emerges from the need to verbalize musical emotions. This concern seems highly relevant today, considering the exponential growth of natural language processing using deep learning models where it is possible to prompt semantic propositions to generate music automatically. This scoping review aims to analyze and discuss the possibilities of music generation conditioned by emotions. To address this topic, we propose a historical perspective that encompasses the different disciplines and methods contributing to this topic. In detail, we review two main paradigms adopted in automatic music generation: rules-based and machine-learning models. Of note are the deep learning architectures that aim to generate high-fidelity music from textual descriptions. These models raise fundamental questions about the expressivity of music, including whether emotions can be represented with words or expressed through them. We conclude that overcoming the limitation and ambiguity of language to express emotions through music, some of the use of deep learning with natural language has the potential to impact the creative industries by providing powerful tools to prompt and generate new musical works.

Intracortical brain-computer interfaces (iBCIs) have shown promise for restoring rapid communication to people with neurological disorders such as amyotrophic lateral sclerosis (ALS). However, to maintain high performance over time, iBCIs typically need frequent recalibration to combat changes in the neural recordings that accrue over days. This requires iBCI users to stop using the iBCI and engage in supervised data collection, making the iBCI system hard to use. In this paper, we propose a method that enables self-recalibration of communication iBCIs without interrupting the user. Our method leverages large language models (LMs) to automatically correct errors in iBCI outputs. The self-recalibration process uses these corrected outputs ("pseudo-labels") to continually update the iBCI decoder online. Over a period of more than one year (403 days), we evaluated our Continual Online Recalibration with Pseudo-labels (CORP) framework with one clinical trial participant. CORP achieved a stable decoding accuracy of 93.84% in an online handwriting iBCI task, significantly outperforming other baseline methods. Notably, this is the longest-running iBCI stability demonstration involving a human participant. Our results provide the first evidence for long-term stabilization of a plug-and-play, high-performance communication iBCI, addressing a major barrier for the clinical translation of iBCIs.

Mislabeled, duplicated, or biased data in real-world scenarios can lead to prolonged training and even hinder model convergence. Traditional solutions prioritizing easy or hard samples lack the flexibility to handle such a variety simultaneously. Recent work has proposed a more reasonable data selection principle by examining the data's impact on the model's generalization loss. However, its practical adoption relies on less principled approximations and additional holdout data. This work solves these problems by leveraging a lightweight Bayesian treatment and incorporating off-the-shelf zero-shot predictors built on large-scale pre-trained models. The resulting algorithm is efficient and easy to implement. We perform extensive empirical studies on challenging benchmarks with considerable data noise and imbalance in the online batch selection scenario, and observe superior training efficiency over competitive baselines. Notably, on the challenging WebVision benchmark, our method can achieve similar predictive performance with significantly fewer training iterations than leading data selection methods.

In this study, we delve into the dynamic landscape of machine learning research evolution. Initially, through the utilization of Latent Dirichlet Allocation, we discern pivotal themes and fundamental concepts that have emerged within the realm of machine learning. Subsequently, we undertake a comprehensive analysis to track the evolutionary trajectories of these identified themes. To quantify the novelty and divergence of research contributions, we employ the Kullback-Leibler Divergence metric. This statistical measure serves as a proxy for ``surprise'', indicating the extent of differentiation between the content of academic papers and the subsequent developments in research. By amalgamating these insights, we gain the ability to ascertain the pivotal roles played by prominent researchers and the significance of specific academic venues (periodicals and conferences) within the machine learning domain.

Supervised learning models have been used in various domains such as lending, college admission, face recognition, natural language processing, etc. However, they may inherit pre-existing biases from training data and exhibit discrimination against protected social groups. Various fairness notions have been proposed to address unfairness issues. In this work, we focus on Equalized Loss (EL), a fairness notion that requires the expected loss to be (approximately) equalized across different groups. Imposing EL on the learning process leads to a non-convex optimization problem even if the loss function is convex, and the existing fair learning algorithms cannot properly be adopted to find the fair predictor under the EL constraint. This paper introduces an algorithm that can leverage off-the-shelf convex programming tools (e.g., CVXPY) to efficiently find the global optimum of this non-convex optimization. In particular, we propose the ELminimizer algorithm, which finds the optimal fair predictor under EL by reducing the non-convex optimization to a sequence of convex optimization problems. We theoretically prove that our algorithm finds the global optimal solution under certain conditions. Then, we support our theoretical results through several empirical studies.

In the last decade, Deep Learning has rapidly infiltrated the consumer end, mainly thanks to hardware acceleration across devices. However, as we look towards the future, it is evident that isolated hardware will be insufficient. Increasingly complex AI tasks demand shared resources, cross-device collaboration, and multiple data types, all without compromising user privacy or quality of experience. To address this, we introduce a novel paradigm centered around EdgeAI-Hub devices, designed to reorganise and optimise compute resources and data access at the consumer edge. To this end, we lay a holistic foundation for the transition from on-device to Edge-AI serving systems in consumer environments, detailing their components, structure, challenges and opportunities.

Data attribution methods play a crucial role in understanding machine learning models, providing insight into which training data points are most responsible for model outputs during deployment. However, current state-of-the-art approaches require a large ensemble of as many as 300,000 models to accurately attribute model predictions. These approaches therefore come at a high computational cost, are memory intensive, and are hard to scale to large models or datasets. In this work, we focus on a minimalist baseline, utilizing the feature space of a backbone pretrained via self-supervised learning to perform data attribution. Our method is model-agnostic and scales easily to large datasets. We show results on CIFAR-10 and ImageNet, achieving strong performance that rivals or outperforms state-of-the-art approaches at a fraction of the compute or memory cost. Contrary to prior work, our results reinforce the intuition that a model's prediction on one image is most impacted by visually similar training samples. Our approach serves as a simple and efficient baseline for data attribution on images.  ( 2 min )

Meta Reinforcement Learning (Meta RL) trains agents that adapt to fast-changing environments and tasks. Current strategies often lose adaption efficiency due to the passive nature of model exploration, causing delayed understanding of new transition dynamics. This results in particularly fast-evolving tasks being impossible to solve. We propose a novel approach, Hypothesis Network Planned Exploration (HyPE), that integrates an active and planned exploration process via the hypothesis network to optimize adaptation speed. HyPE uses a generative hypothesis network to form potential models of state transition dynamics, then eliminates incorrect models through strategically devised experiments. Evaluated on a symbolic version of the Alchemy game, HyPE outpaces baseline methods in adaptation speed and model accuracy, validating its potential in enhancing reinforcement learning adaptation in rapidly evolving settings.

In software development, code comments play a crucial role in enhancing code comprehension and collaboration. This research paper addresses the challenge of objectively classifying code comments as "Useful" or "Not Useful." We propose a novel solution that harnesses contextualized embeddings, particularly BERT, to automate this classification process. We address this task by incorporating generated code and comment pairs. The initial dataset comprised 9048 pairs of code and comments written in C, labeled as either Useful or Not Useful. To augment this dataset, we sourced an additional 739 lines of code-comment pairs and generated labels using a Large Language Model Architecture, specifically BERT. The primary objective was to build classification models that can effectively differentiate between useful and not useful code comments. Various machine learning algorithms were employed, including Logistic Regression, Decision Tree, K-Nearest Neighbors (KNN), Support Vector Machine (SVM), Gradient Boosting, Random Forest, and a Neural Network. Each algorithm was evaluated using precision, recall, and F1-score metrics, both with the original seed dataset and the augmented dataset. This study showcases the potential of generative AI for enhancing binary code comment quality classification models, providing valuable insights for software developers and researchers in the field of natural language processing and software engineering.  ( 3 min )

The Metaverse is deemed the next evolution of the Internet and has received much attention recently. Metaverse applications via mobile augmented reality (MAR) require rapid and accurate object detection to mix digital data with the real world. As mobile devices evolve, their computational capabilities are increasing, and thus their computational resources can be leveraged to train machine learning models. In light of the increasing concerns of user privacy and data security, federated learning (FL) has become a promising distributed learning framework for privacy-preserving analytics. In this article, FL and MAR are brought together in the Metaverse. We discuss the necessity and rationality of the combination of FL and MAR. The prospective technologies that support FL and MAR in the Metaverse are also discussed. In addition, existing challenges that prevent the fulfillment of FL and MAR in the Metaverse and several application scenarios are presented. Finally, three case studies of Metaverse FL-MAR systems are demonstrated.

Recommender models aim to capture user preferences from historical feedback and then predict user-specific feedback on candidate items. However, the presence of various unmeasured confounders causes deviations between the user preferences in the historical feedback and the true preferences, resulting in models not meeting their expected performance. Existing debias models either (1) specific to solving one particular bias or (2) directly obtain auxiliary information from user historical feedback, which cannot identify whether the learned preferences are true user preferences or mixed with unmeasured confounders. Moreover, we find that the former recommender system is not only a successor to unmeasured confounders but also acts as an unmeasured confounder affecting user preference modeling, which has always been neglected in previous studies. To this end, we incorporate the effect of the former recommender system and treat it as a proxy for all unmeasured confounders. We propose a novel framework, \textbf{S}eparating and \textbf{L}earning Latent Confounders \textbf{F}or \textbf{R}ecommendation (\textbf{SLFR}), which obtains the representation of unmeasured confounders to identify the counterfactual feedback by disentangling user preferences and unmeasured confounders, then guides the target model to capture the true preferences of users. Extensive experiments in five real-world datasets validate the advantages of our method.

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node connections, resulting from the complex and contingent formation process of graphs, presents significant challenges in modeling them effectively. To tackle this issue, Graph Structure Learning (GSL), a family of data-centric learning approaches, has garnered substantial attention in recent years. The core concept behind GSL is to jointly optimize the graph structure and the corresponding GNN models. Despite the proposal of numerous GSL methods, the progress in this field remains unclear due to inconsistent experimental protocols, including variations in datasets, data processing techniques, and splitting strategies. In this paper, we introduce OpenGSL, the first comprehensive benchmark for GSL, aimed at addressing this gap. OpenGSL enables a fair comparison among state-of-the-art GSL methods by evaluating them across various popular datasets using uniform data processing and splitting strategies. Through extensive experiments, we observe that existing GSL methods do not consistently outperform vanilla GNN counterparts. We also find that there is no significant correlation between the homophily of the learned structure and task performance, challenging the common belief. Moreover, we observe that the learned graph structure demonstrates a strong generalization ability across different GNN models, despite the high computational and space consumption. We hope that our open-sourced library will facilitate rapid and equitable evaluation and inspire further innovative research in this field. The code of the benchmark can be found in https://github.com/OpenGSL/OpenGSL.

Language models have been shown to perform remarkably well on a wide range of natural language processing tasks. In this paper, we propose LEAP, a novel system that uses language models to perform multi-step logical reasoning and incorporates explicit planning into the inference procedure. Explicit planning enables the system to make more informed reasoning decisions at each step by looking ahead into their future effects. Moreover, we propose a training strategy that safeguards the planning process from being led astray by spurious features. Our full system significantly outperforms other competing methods on multiple standard datasets. When using small T5 models as its core selection and deduction components, our system performs competitively compared to GPT-3 despite having only about 1B parameters (i.e., 175 times smaller than GPT-3). When using GPT-3.5, it significantly outperforms chain-of-thought prompting on the challenging PrOntoQA dataset. We have conducted extensive empirical studies to demonstrate that explicit planning plays a crucial role in the system's performance.

Manifold learning (ML), known also as non-linear dimension reduction, is a set of methods to find the low dimensional structure of data. Dimension reduction for large, high dimensional data is not merely a way to reduce the data; the new representations and descriptors obtained by ML reveal the geometric shape of high dimensional point clouds, and allow one to visualize, de-noise and interpret them. This survey presents the principles underlying ML, the representative methods, as well as their statistical foundations from a practicing statistician's perspective. It describes the trade-offs, and what theory tells us about the parameter and algorithmic choices we make in order to obtain reliable conclusions.

Macro placement is a critical phase in chip design, which becomes more intricate when involving general rectilinear macros and layout areas. Furthermore, macro placement that incorporates human-like constraints, such as design hierarchy and peripheral bias, has the potential to significantly reduce the amount of additional manual labor required from designers. This study proposes a methodology that leverages an approach suggested by Google's Circuit Training (G-CT) to provide a learning-based macro placer that not only supports placing rectilinear cases, but also adheres to crucial human-like design principles. Our experimental results demonstrate the effectiveness of our framework in achieving power-performance-area (PPA) metrics and in obtaining placements of high quality, comparable to those produced with human intervention. Additionally, our methodology shows potential as a generalized model to address diverse macro shapes and layout areas.

For a given causal question, it is important to efficiently decide which causal inference method to use for a given dataset. This is challenging because causal methods typically rely on complex and difficult-to-verify assumptions, and cross-validation is not applicable since ground truth causal quantities are unobserved.In this work, we propose CAusal Method Predictor (CAMP), a framework for predicting the best method for a given dataset. To this end, we generate datasets from a diverse set of synthetic causal models, score the candidate methods, and train a model to directly predict the highest-scoring method for that dataset. Next, by formulating a self-supervised pre-training objective centered on dataset assumptions relevant for causal inference, we significantly reduce the need for costly labeled data and enhance training efficiency. Our strategy learns to map implicit dataset properties to the best method in a data-driven manner. In our experiments, we focus on method prediction for causal discovery. CAMP outperforms selecting any individual candidate method and demonstrates promising generalization to unseen semi-synthetic and real-world benchmarks.

Existing computer vision systems can compete with humans in understanding the visible parts of objects, but still fall far short of humans when it comes to depicting the invisible parts of partially occluded objects. Image amodal completion aims to equip computers with human-like amodal completion functions to understand an intact object despite it being partially occluded. The main purpose of this survey is to provide an intuitive understanding of the research hotspots, key technologies and future trends in the field of image amodal completion. Firstly, we present a comprehensive review of the latest literature in this emerging field, exploring three key tasks in image amodal completion, including amodal shape completion, amodal appearance completion, and order perception. Then we examine popular datasets related to image amodal completion along with their common data collection methods and evaluation metrics. Finally, we discuss real-world applications and future research directions for image amodal completion, facilitating the reader's understanding of the challenges of existing technologies and upcoming research trends.

State-of-the-art systems neuroscience experiments yield large-scale multimodal data, and these data sets require new tools for analysis. Inspired by the success of large pretrained models in vision and language domains, we reframe the analysis of large-scale, cellular-resolution neuronal spiking data into an autoregressive spatiotemporal generation problem. Neuroformer is a multimodal, multitask generative pretrained transformer (GPT) model that is specifically designed to handle the intricacies of data in systems neuroscience. It scales linearly with feature size, can process an arbitrary number of modalities, and is adaptable to downstream tasks, such as predicting behavior. We first trained Neuroformer on simulated datasets, and found that it both accurately predicted simulated neuronal circuit activity, and also intrinsically inferred the underlying neural circuit connectivity, including direction. When pretrained to decode neural responses, the model predicted the behavior of a mouse with only few-shot fine-tuning, suggesting that the model begins learning how to do so directly from the neural representations themselves, without any explicit supervision. We used an ablation study to show that joint training on neuronal responses and behavior boosted performance, highlighting the model's ability to associate behavioral and neural representations in an unsupervised manner. These findings show that Neuroformer can analyze neural datasets and their emergent properties, informing the development of models and hypotheses associated with the brain.

Large Language Models (LLMs) have seen great advance in both academia and industry, and their popularity results in numerous open-source frameworks and techniques in accelerating LLM pre-training, fine-tuning, and inference. Training and deploying LLMs are expensive as it requires considerable computing resources and memory, hence many efficient approaches have been developed for improving system pipelines as well as operators. However, the runtime performance can vary significantly across hardware and software stacks, which makes it difficult to choose the best configuration. In this work, we aim to benchmark the performance from both macro and micro perspectives. First, we benchmark the end-to-end performance of pre-training, fine-tuning, and serving LLMs in different sizes , i.e., 7, 13, and 70 billion parameters (7B, 13B, and 70B) on three 8-GPU platforms with and without individual optimization techniques, including ZeRO, quantization, recomputation, FlashAttention. Then, we dive deeper to provide a detailed runtime analysis of the sub-modules, including computing and communication operators in LLMs. For end users, our benchmark and findings help better understand different optimization techniques, training and inference frameworks, together with hardware platforms in choosing configurations for deploying LLMs. For researchers, our in-depth module-wise analyses discover potential opportunities for future work to further optimize the runtime performance of LLMs.

We address the issue of estimation bias in deep reinforcement learning (DRL) by introducing solution mechanisms that include a new, twin TD-regularized actor-critic (TDR) method. It aims at reducing both over and under-estimation errors. With TDR and by combining good DRL improvements, such as distributional learning and long N-step surrogate stage reward (LNSS) method, we show that our new TDR-based actor-critic learning has enabled DRL methods to outperform their respective baselines in challenging environments in DeepMind Control Suite. Furthermore, they elevate TD3 and SAC respectively to a level of performance comparable to that of D4PG (the current SOTA), and they also improve the performance of D4PG to a new SOTA level measured by mean reward, convergence speed, learning success rate, and learning variance.

In this paper, we provide a rigorous proof of convergence of the Adaptive Moment Estimate (Adam) algorithm for a wide class of optimization objectives. Despite the popularity and efficiency of the Adam algorithm in training deep neural networks, its theoretical properties are not yet fully understood, and existing convergence proofs require unrealistically strong assumptions, such as globally bounded gradients, to show the convergence to stationary points. In this paper, we show that Adam provably converges to $\epsilon$-stationary points with ${O}(\epsilon^{-4})$ gradient complexity under far more realistic conditions. The key to our analysis is a new proof of boundedness of gradients along the optimization trajectory of Adam, under a generalized smoothness assumption according to which the local smoothness (i.e., Hessian norm when it exists) is bounded by a sub-quadratic function of the gradient norm. Moreover, we propose a variance-reduced version of Adam with an accelerated gradient complexity of ${O}(\epsilon^{-3})$.  ( 2 min )

Neural MMO 2.0 is a massively multi-agent environment for reinforcement learning research. The key feature of this new version is a flexible task system that allows users to define a broad range of objectives and reward signals. We challenge researchers to train agents capable of generalizing to tasks, maps, and opponents never seen during training. Neural MMO features procedurally generated maps with 128 agents in the standard setting and support for up to. Version 2.0 is a complete rewrite of its predecessor with three-fold improved performance and compatibility with CleanRL. We release the platform as free and open-source software with comprehensive documentation available at neuralmmo.github.io and an active community Discord. To spark initial research on this new platform, we are concurrently running a competition at NeurIPS 2023.

Deep neural networks have emerged as the workhorse for a large section of robotics and control applications, especially as models for dynamical systems. Such data-driven models are in turn used for designing and verifying autonomous systems. They are particularly useful in modeling medical systems where data can be leveraged to individualize treatment. In safety-critical applications, it is important that the data-driven model is conformant to established knowledge from the natural sciences. Such knowledge is often available or can often be distilled into a (possibly black-box) model. For instance, an F1 racing car should conform to Newton's laws (which are encoded within a unicycle model). In this light, we consider the following problem - given a model $M$ and a state transition dataset, we wish to best approximate the system model while being a bounded distance away from $M$. We propose a method to guarantee this conformance. Our first step is to distill the dataset into a few representative samples called memories, using the idea of a growing neural gas. Next, using these memories we partition the state space into disjoint subsets and compute bounds that should be respected by the neural network in each subset. This serves as a symbolic wrapper for guaranteed conformance. We argue theoretically that this only leads to a bounded increase in approximation error; which can be controlled by increasing the number of memories. We experimentally show that on three case studies (Car Model, Drones, and Artificial Pancreas), our constrained neurosymbolic models conform to specified models (each encoding various constraints) with order-of-magnitude improvements compared to the augmented Lagrangian and vanilla training methods. Our code can be found at: https://github.com/kaustubhsridhar/Constrained_Models

Unsupervised domain adaptive (UDA) person re-identification (re-ID) aims to learn identity information from labeled images in source domains and apply it to unlabeled images in a target domain. One major issue with many unsupervised re-identification methods is that they do not perform well relative to large domain variations such as illumination, viewpoint, and occlusions. In this paper, we propose a Synthesis Model Bank (SMB) to deal with illumination variation in unsupervised person re-ID. The proposed SMB consists of several convolutional neural networks (CNN) for feature extraction and Mahalanobis matrices for distance metrics. They are trained using synthetic data with different illumination conditions such that their synergistic effect makes the SMB robust against illumination variation. To better quantify the illumination intensity and improve the quality of synthetic images, we introduce a new 3D virtual-human dataset for GAN-based image synthesis. From our experiments, the proposed SMB outperforms other synthesis methods on several re-ID benchmarks.

In the era of widespread public use of AI systems across various domains, ensuring adversarial robustness has become increasingly vital to maintain safety and prevent undesirable errors. Researchers have curated various adversarial datasets (through perturbations) for capturing model deficiencies that cannot be revealed in standard benchmark datasets. However, little is known about how these adversarial examples differ from the original data points, and there is still no methodology to measure the intended and unintended consequences of those adversarial transformations. In this research, we conducted a systematic survey of existing quantifiable metrics that describe text instances in NLP tasks, among dimensions of difficulty, diversity, and disagreement. We selected several current adversarial effect datasets and compared the distributions between the original and their adversarial counterparts. The results provide valuable insights into what makes these datasets more challenging from a metrics perspective and whether they align with underlying assumptions.

The present work proposes a framework for nonlinear model order reduction based on a Graph Convolutional Autoencoder (GCA-ROM). In the reduced order modeling (ROM) context, one is interested in obtaining real-time and many-query evaluations of parametric Partial Differential Equations (PDEs). Linear techniques such as Proper Orthogonal Decomposition (POD) and Greedy algorithms have been analyzed thoroughly, but they are more suitable when dealing with linear and affine models showing a fast decay of the Kolmogorov n-width. On one hand, the autoencoder architecture represents a nonlinear generalization of the POD compression procedure, allowing one to encode the main information in a latent set of variables while extracting their main features. On the other hand, Graph Neural Networks (GNNs) constitute a natural framework for studying PDE solutions defined on unstructured meshes. Here, we develop a non-intrusive and data-driven nonlinear reduction approach, exploiting GNNs to encode the reduced manifold and enable fast evaluations of parametrized PDEs. We show the capabilities of the methodology for several models: linear/nonlinear and scalar/vector problems with fast/slow decay in the physically and geometrically parametrized setting. The main properties of our approach consist of (i) high generalizability in the low-data regime even for complex regimes, (ii) physical compliance with general unstructured grids, and (iii) exploitation of pooling and un-pooling operations to learn from scattered data.  ( 3 min )

Deep learning models have shown promising predictive accuracy for time-series healthcare applications. However, ensuring the robustness of these models is vital for building trustworthy AI systems. Existing research predominantly focuses on robustness to synthetic adversarial examples, crafted by adding imperceptible perturbations to clean input data. However, these synthetic adversarial examples do not accurately reflect the most challenging real-world scenarios, especially in the context of healthcare data. Consequently, robustness to synthetic adversarial examples may not necessarily translate to robustness against naturally occurring adversarial examples, which is highly desirable for trustworthy AI. We propose a method to curate datasets comprised of natural adversarial examples to evaluate model robustness. The method relies on probabilistic labels obtained from automated weakly-supervised labeling that combines noisy and cheap-to-obtain labeling heuristics. Based on these labels, our method adversarially orders the input data and uses this ordering to construct a sequence of increasingly adversarial datasets. Our evaluation on six medical case studies and three non-medical case studies demonstrates the efficacy and statistical validity of our approach to generating naturally adversarial datasets

As control engineering methods are applied to increasingly complex systems, data-driven approaches for system identification appear as a promising alternative to physics-based modeling. While the Bayesian approaches prevalent for safety-critical applications usually rely on the availability of state measurements, the states of a complex system are often not directly measurable. It may then be necessary to jointly estimate the dynamics and the latent state, making the quantification of uncertainties and the design of controllers with formal performance guarantees considerably more challenging. This paper proposes a novel method for the computation of an optimal input trajectory for unknown nonlinear systems with latent states based on a combination of particle Markov chain Monte Carlo methods and scenario theory. Probabilistic performance guarantees are derived for the resulting input trajectory, and an approach to validate the performance of arbitrary control laws is presented. The effectiveness of the proposed method is demonstrated in a numerical simulation.

One of the grand challenges of cell biology is inferring the gene regulatory network (GRN) which describes interactions between genes and their products that control gene expression and cellular function. We can treat this as a causal discovery problem but with two non-standard challenges: (1) regulatory networks are inherently cyclic so we should not model a GRN as a directed acyclic graph (DAG), and (2) observations have significant measurement noise, so for typical sample sizes there will always be a large equivalence class of graphs that are likely given the data, and we want methods that capture this uncertainty. Existing methods either focus on challenge (1), identifying cyclic structure from dynamics, or on challenge (2) learning complex Bayesian posteriors over DAGs, but not both. In this paper we leverage the fact that it is possible to estimate the "velocity" of gene expression with RNA velocity techniques to develop an approach that addresses both challenges. Because we have access to velocity information, we can treat the Bayesian structure learning problem as a problem of sparse identification of a dynamical system, capturing cyclic feedback loops through time. Since our objective is to model uncertainty over discrete structures, we leverage Generative Flow Networks (GFlowNets) to estimate the posterior distribution over the combinatorial space of possible sparse dependencies. Our results indicate that our method learns posteriors that better encapsulate the distributions of cyclic structures compared to counterpart state-of-the-art Bayesian structure learning approaches.

Benefiting from the strong view-consistent information mining capacity, multi-view contrastive clustering has attracted plenty of attention in recent years. However, we observe the following drawback, which limits the clustering performance from further improvement. The existing multi-view models mainly focus on the consistency of the same samples in different views while ignoring the circumstance of similar but different samples in cross-view scenarios. To solve this problem, we propose a novel Dual contrastive calibration network for Multi-View Clustering (DealMVC). Specifically, we first design a fusion mechanism to obtain a global cross-view feature. Then, a global contrastive calibration loss is proposed by aligning the view feature similarity graph and the high-confidence pseudo-label graph. Moreover, to utilize the diversity of multi-view information, we propose a local contrastive calibration loss to constrain the consistency of pair-wise view features. The feature structure is regularized by reliable class information, thus guaranteeing similar samples have similar features in different views. During the training procedure, the interacted cross-view feature is jointly optimized at both local and global levels. In comparison with other state-of-the-art approaches, the comprehensive experimental results obtained from eight benchmark datasets provide substantial validation of the effectiveness and superiority of our algorithm. We release the code of DealMVC at https://github.com/xihongyang1999/DealMVC on GitHub.

Structure-based molecular ML (SBML) models can be highly sensitive to input geometries and give predictions with large variance. We present an approach to mitigate the challenge of selecting conformations for such models by generating conformers that explicitly minimize predictive uncertainty. To achieve this, we compute estimates of aleatoric and epistemic uncertainties that are differentiable w.r.t. latent posteriors. We then iteratively sample new latents in the direction of lower uncertainty by gradient descent. As we train our predictive models jointly with a conformer decoder, the new latent embeddings can be mapped to their corresponding inputs, which we call \textit{MoleCLUEs}, or (molecular) counterfactual latent uncertainty explanations \citep{antoran2020getting}. We assess our algorithm for the task of predicting drug properties from 3D structure with maximum confidence. We additionally analyze the structure trajectories obtained from conformer optimizations, which provide insight into the sources of uncertainty in SBML.

Sparse polynomial approximation has become indispensable for approximating smooth, high- or infinite-dimensional functions from limited samples. This is a key task in computational science and engineering, e.g., surrogate modelling in uncertainty quantification where the function is the solution map of a parametric or stochastic differential equation (DE). Yet, sparse polynomial approximation lacks a complete theory. On the one hand, there is a well-developed theory of best $s$-term polynomial approximation, which asserts exponential or algebraic rates of convergence for holomorphic functions. On the other, there are increasingly mature methods such as (weighted) $\ell^1$-minimization for computing such approximations. While the sample complexity of these methods has been analyzed with compressed sensing, whether they achieve best $s$-term approximation rates is not fully understood. Furthermore, these methods are not algorithms per se, as they involve exact minimizers of nonlinear optimization problems. This paper closes these gaps. Specifically, we consider the following question: are there robust, efficient algorithms for computing approximations to finite- or infinite-dimensional, holomorphic and Hilbert-valued functions from limited samples that achieve best $s$-term rates? We answer this affirmatively by introducing algorithms and theoretical guarantees that assert exponential or algebraic rates of convergence, along with robustness to sampling, algorithmic, and physical discretization errors. We tackle both scalar- and Hilbert-valued functions, this being key to parametric or stochastic DEs. Our results involve significant developments of existing techniques, including a novel restarted primal-dual iteration for solving weighted $\ell^1$-minimization problems in Hilbert spaces. Our theory is supplemented by numerical experiments demonstrating the efficacy of these algorithms.

Nowadays, many modern applications require heterogeneous tabular data, which is still a challenging task in terms of regression and classification. Many approaches have been proposed to adapt neural networks for this task, but still, boosting and bagging of decision trees are the best-performing methods for this task. In this paper, we show that a binomial initialized neural network can be used effectively on tabular data. The proposed approach shows a simple but effective approach for initializing the first hidden layer in neural networks. We also show that this initializing schema can be used to jointly train ensembles by adding gradient masking to batch entries and using the binomial initialization for the last layer in a neural network. For this purpose, we modified the hinge binary loss and the soft max loss to make them applicable for joint ensemble training. We evaluate our approach on multiple public datasets and showcase the improved performance compared to other neural network-based approaches. In addition, we discuss the limitations and possible further research of our approach for improving the applicability of neural networks to tabular data. Link: https://es-cloud.cs.uni-tuebingen.de/d/8e2ab8c3fdd444e1a135/?p=%2FInitializationNeuronalNetworksTabularData&mode=list

Vision Transformers (ViT) have recently demonstrated success across a myriad of computer vision tasks. However, their elevated computational demands pose significant challenges for real-world deployment. While low-rank approximation stands out as a renowned method to reduce computational loads, efficiently automating the target rank selection in ViT remains a challenge. Drawing from the notable similarity and alignment between the processes of rank selection and One-Shot NAS, we introduce FLORA, an end-to-end automatic framework based on NAS. To overcome the design challenge of supernet posed by vast search space, FLORA employs a low-rank aware candidate filtering strategy. This method adeptly identifies and eliminates underperforming candidates, effectively alleviating potential undertraining and interference among subnetworks. To further enhance the quality of low-rank supernets, we design a low-rank specific training paradigm. First, we propose weight inheritance to construct supernet and enable gradient sharing among low-rank modules. Secondly, we adopt low-rank aware sampling to strategically allocate training resources, taking into account inherited information from pre-trained models. Empirical results underscore FLORA's efficacy. With our method, a more fine-grained rank configuration can be generated automatically and yield up to 33% extra FLOPs reduction compared to a simple uniform configuration. More specific, FLORA-DeiT-B/FLORA-Swin-B can save up to 55%/42% FLOPs almost without performance degradtion. Importantly, FLORA boasts both versatility and orthogonality, offering an extra 21%-26% FLOPs reduction when integrated with leading compression techniques or compact hybrid structures. Our code is publicly available at https://github.com/shadowpa0327/FLORA.

Representations and embeddings of graph data have been essential in many domains of research. The principle benefit of learning such representations is that the pre-trained model can be fine-tuned on smaller datasets where data or labels are scarse. Existing models, however, are domain specific; for example a model trained on molecular graphs is fine-tuned on other molecular graphs. This means that in many application cases the choice of pre-trained model can be arbitrary, and novel domains may lack an appropriate pre-trained model. This is of particular issue where data is scarse, precluding traditional supervised methods. In this work we use adversarial contrastive learning to present a \method, a model pre-trained on many graph domains. We train the model only on topologies but include node labels in evaluation. We evaluate the efficacy of its learnt representations on various downstream tasks. Against baseline models pre-trained on single domains, as well as un-trained models and non-transferred models, we show that performance is equal or better using our single model. This includes when node labels are used in evaluation, where performance is consistently superior to single-domain or non-pre-trained models.

Background and Objectives: Reproducibility is a major challenge in developing machine learning (ML)-based solutions in computational pathology (CompPath). The NCI Imaging Data Commons (IDC) provides >120 cancer image collections according to the FAIR principles and is designed to be used with cloud ML services. Here, we explore its potential to facilitate reproducibility in CompPath research. Methods: Using the IDC, we implemented two experiments in which a representative ML-based method for classifying lung tumor tissue was trained and/or evaluated on different datasets. To assess reproducibility, the experiments were run multiple times with separate but identically configured instances of common ML services. Results: The AUC values of different runs of the same experiment were generally consistent. However, we observed small variations in AUC values of up to 0.045, indicating a practical limit to reproducibility. Conclusions: We conclude that the IDC facilitates approaching the reproducibility limit of CompPath research (i) by enabling researchers to reuse exactly the same datasets and (ii) by integrating with cloud ML services so that experiments can be run in identically configured computing environments.  ( 3 min )

Unsupervised change detection between airborne LiDAR data points, taken at separate times over the same location, can be difficult due to unmatching spatial support and noise from the acquisition system. Most current approaches to detect changes in point clouds rely heavily on the computation of Digital Elevation Models (DEM) images and supervised methods. Obtaining a DEM leads to LiDAR informational loss due to pixelisation, and supervision requires large amounts of labelled data often unavailable in real-world scenarios. We propose an unsupervised approach based on the computation of the transport of 3D LiDAR points over two temporal supports. The method is based on unbalanced optimal transport and can be generalised to any change detection problem with LiDAR data. We apply our approach to publicly available datasets for monitoring urban sprawling in various noise and resolution configurations that mimic several sensors used in practice. Our method allows for unsupervised multi-class classification and outperforms the previous state-of-the-art unsupervised approaches by a significant margin.

Projecting climate change is a generalization problem: we extrapolate the recent past using physical models across past, present, and future climates. Current climate models require representations of processes that occur at scales smaller than model grid size, which have been the main source of model projection uncertainty. Recent machine learning (ML) algorithms hold promise to improve such process representations, but tend to extrapolate poorly to climate regimes they were not trained on. To get the best of the physical and statistical worlds, we propose a new framework -- termed "climate-invariant" ML -- incorporating knowledge of climate processes into ML algorithms, and show that it can maintain high offline accuracy across a wide range of climate conditions and configurations in three distinct atmospheric models. Our results suggest that explicitly incorporating physical knowledge into data-driven models of Earth system processes can improve their consistency, data efficiency, and generalizability across climate regimes.

We study the convergence to local Nash equilibria of gradient methods for two-player zero-sum differentiable games. It is well-known that such dynamics converge locally when $S \succ 0$ and may diverge when $S=0$, where $S\succeq 0$ is the symmetric part of the Jacobian at equilibrium that accounts for the "potential" component of the game. We show that these dynamics also converge as soon as $S$ is nonzero (partial curvature) and the eigenvectors of the antisymmetric part $A$ are in general position with respect to the kernel of $S$. We then study the convergence rates when $S \ll A$ and prove that they typically depend on the average of the eigenvalues of $S$, instead of the minimum as an analogy with minimization problems would suggest. To illustrate our results, we consider the problem of computing mixed Nash equilibria of continuous games. We show that, thanks to partial curvature, conic particle methods -- which optimize over both weights and supports of the mixed strategies -- generically converge faster than fixed-support methods. For min-max games, it is thus beneficial to add degrees of freedom "with curvature": this can be interpreted as yet another benefit of over-parameterization.

Self-supervised learning (SSL) has emerged as a popular approach for learning audio representations. One goal of audio self-supervised pre-training is to transfer knowledge to downstream audio tasks, generally including clip-level and frame-level tasks. While frame-level tasks are important for fine-grained acoustic scene/event understanding, prior studies primarily evaluate on clip-level downstream tasks. In order to tackle both clip-level and frame-level tasks, this paper proposes Audio Teacher-Student Transformer (ATST), with a clip-level version (named ATST-Clip) and a frame-level version (named ATST-Frame), responsible for learning clip-level and frame-level representations, respectively. Both methods use a Transformer encoder and a teacher-student training scheme. We have carefully designed the view creation strategy for ATST-Clip and ATST-Frame. Specifically, ATST-Clip uses segment-wise data augmentations, and ATST-Frame integrates frame-wise data augmentations and masking. Experimental results show that our ATST-Frame model obtains state-of-the-art (SOTA) performances on most of the clip-level and frame-level downstream tasks. Especially, it outperforms other models by a large margin on the frame-level sound event detection task. In addition, the performance can be further improved by combining the two models through knowledge distillation. Our code is available online.

Goal-conditioned planning benefits from learned low-dimensional representations of rich, high-dimensional observations. While compact latent representations, typically learned from variational autoencoders or inverse dynamics, enable goal-conditioned planning they ignore state affordances, thus hampering their sample-efficient planning capabilities. In this paper, we learn a representation that associates reachable states together for effective onward planning. We first learn a latent representation with multi-step inverse dynamics (to remove distracting information); and then transform this representation to associate reachable states together in $\ell_2$ space. Our proposals are rigorously tested in various simulation testbeds. Numerical results in reward-based and reward-free settings show significant improvements in sampling efficiency, and yields layered state abstractions that enable computationally efficient hierarchical planning.

We study scalable machine learning models for full event reconstruction in high-energy electron-positron collisions based on a highly granular detector simulation. Particle-flow reconstruction can be formulated as a supervised learning task using tracks and calorimeter clusters or hits. We compare a graph neural network and kernel-based transformer and demonstrate that both avoid quadratic memory allocation and computational cost while achieving realistic reconstruction. We show that hyperparameter tuning on a supercomputer significantly enhances the physics performance of the models, improving the jet transverse momentum resolution by up to 50% compared to the baseline. The resulting model is highly portable across hardware processors. Finally, we demonstrate that the model can be trained on highly granular inputs consisting of tracks and calorimeter hits, resulting in a competitive physics performance with the baseline. Datasets and software to reproduce the studies are published following the findable, accessible, interoperable, and reusable principles.

Images of realistic scenes often contain intra-class objects that are heavily occluded from each other, making the amodal perception task that requires parsing the occluded parts of the objects challenging. Although important for downstream tasks such as robotic grasping systems, the lack of large-scale amodal datasets with detailed annotations makes it difficult to model intra-class occlusions explicitly. This paper introduces two new amodal datasets for image amodal completion tasks, which contain a total of over 267K images of intra-class occlusion scenarios, annotated with multiple masks, amodal bounding boxes, dual order relations and full appearance for instances and background. We also present a point-supervised scheme with layer priors for amodal instance segmentation specifically designed for intra-class occlusion scenarios. Experiments show that our weakly supervised approach outperforms the SOTA fully supervised methods, while our layer priors design exhibits remarkable performance improvements in the case of intra-class occlusion in both synthetic and real images.  ( 2 min )

We introduce AdaSub, a stochastic optimization algorithm that computes a search direction based on second-order information in a low-dimensional subspace that is defined adaptively based on available current and past information. Compared to first-order methods, second-order methods exhibit better convergence characteristics, but the need to compute the Hessian matrix at each iteration results in excessive computational expenses, making them impractical. To address this issue, our approach enables the management of computational expenses and algorithm efficiency by enabling the selection of the subspace dimension for the search. Our code is freely available on GitHub, and our preliminary numerical results demonstrate that AdaSub surpasses popular stochastic optimizers in terms of time and number of iterations required to reach a given accuracy.

Federated learning (FL) enables a decentralized machine learning paradigm for multiple clients to collaboratively train a generalized global model without sharing their private data. Most existing works simply propose typical FL systems for single-modal data, thus limiting its potential on exploiting valuable multimodal data for future personalized applications. Furthermore, the majority of FL approaches still rely on the labeled data at the client side, which is limited in real-world applications due to the inability of self-annotation from users. In light of these limitations, we propose a novel multimodal FL framework that employs a semi-supervised learning approach to leverage the representations from different modalities. Bringing this concept into a system, we develop a distillation-based multimodal embedding knowledge transfer mechanism, namely FedMEKT, which allows the server and clients to exchange the joint knowledge of their learning models extracted from a small multimodal proxy dataset. Our FedMEKT iteratively updates the generalized global encoders with the joint embedding knowledge from the participating clients. Thereby, to address the modality discrepancy and labeled data constraint in existing FL systems, our proposed FedMEKT comprises local multimodal autoencoder learning, generalized multimodal autoencoder construction, and generalized classifier learning. Through extensive experiments on three multimodal human activity recognition datasets, we demonstrate that FedMEKT achieves superior global encoder performance on linear evaluation and guarantees user privacy for personal data and model parameters while demanding less communication cost than other baselines.

The aim of this paper is to make clear and precise the relationship between the Rubin causal model (RCM) and structural causal model (SCM) frameworks for causal inference. Adopting a neutral logical perspective, and drawing on previous work, we show what is required for an RCM to be representable by an SCM. A key result then shows that every RCM -- including those that violate algebraic principles implied by the SCM framework -- emerges as an abstraction of some representable RCM. Finally, we illustrate the power of this conciliatory perspective by pinpointing an important role for SCM principles in classic applications of RCMs; conversely, we offer a characterization of the algebraic constraints implied by a graph, helping to substantiate further comparisons between the two frameworks.

Sequential maximization of expected improvement (EI) is one of the most widely used policies in Bayesian optimization because of its simplicity and ability to handle noisy observations. In particular, the improvement function often uses the best posterior mean as the best incumbent in noisy settings. However, the uncertainty associated with the incumbent solution is often neglected in many analytic EI-type methods: a closed-form acquisition function is derived in the noise-free setting, but then applied to the setting with noisy observations. To address this limitation, we propose a modification of EI that corrects its closed-form expression by incorporating the covariance information provided by the Gaussian Process (GP) model. This acquisition function specializes to the classical noise-free result, and we argue should replace that formula in Bayesian optimization software packages, tutorials, and textbooks. This enhanced acquisition provides good generality for noisy and noiseless settings. We show that our method achieves a sublinear convergence rate on the cumulative regret bound under heteroscedastic observation noise. Our empirical results demonstrate that our proposed acquisition function can outperform EI in the presence of noisy observations on benchmark functions for black-box optimization, as well as on parameter search for neural network model compression.

Open-world semi-supervised learning aims at inferring both known and novel classes in unlabeled data, by harnessing prior knowledge from a labeled set with known classes. Despite its importance, there is a lack of theoretical foundations for this problem. This paper bridges the gap by formalizing a graph-theoretic framework tailored for the open-world setting, where the clustering can be theoretically characterized by graph factorization. Our graph-theoretic framework illuminates practical algorithms and provides guarantees. In particular, based on our graph formulation, we apply the algorithm called Spectral Open-world Representation Learning (SORL), and show that minimizing our loss is equivalent to performing spectral decomposition on the graph. Such equivalence allows us to derive a provable error bound on the clustering performance for both known and novel classes, and analyze rigorously when labeled data helps. Empirically, SORL can match or outperform several strong baselines on common benchmark datasets, which is appealing for practical usage while enjoying theoretical guarantees.

We tackle the task of conditional music generation. We introduce MusicGen, a single Language Model (LM) that operates over several streams of compressed discrete music representation, i.e., tokens. Unlike prior work, MusicGen is comprised of a single-stage transformer LM together with efficient token interleaving patterns, which eliminates the need for cascading several models, e.g., hierarchically or upsampling. Following this approach, we demonstrate how MusicGen can generate high-quality samples, both mono and stereo, while being conditioned on textual description or melodic features, allowing better controls over the generated output. We conduct extensive empirical evaluation, considering both automatic and human studies, showing the proposed approach is superior to the evaluated baselines on a standard text-to-music benchmark. Through ablation studies, we shed light over the importance of each of the components comprising MusicGen. Music samples, code, and models are available at https://github.com/facebookresearch/audiocraft

Coupling normalizing flows allow for fast sampling and density evaluation, making them the tool of choice for probabilistic modeling of physical systems. However, the standard coupling architecture precludes endowing flows that operate on the Cartesian coordinates of atoms with the SE(3) and permutation invariances of physical systems. This work proposes a coupling flow that preserves SE(3) and permutation equivariance by performing coordinate splits along additional augmented dimensions. At each layer, the flow maps atoms' positions into learned SE(3) invariant bases, where we apply standard flow transformations, such as monotonic rational-quadratic splines, before returning to the original basis. Crucially, our flow preserves fast sampling and density evaluation, and may be used to produce unbiased estimates of expectations with respect to the target distribution via importance sampling. When trained on the DW4, LJ13, and QM9-positional datasets, our flow is competitive with equivariant continuous normalizing flows, while allowing sampling more than an order of magnitude faster. Moreover, to the best of our knowledge, we are the first to learn the full Boltzmann distribution of alanine dipeptide by only modeling the Cartesian positions of its atoms. Lastly, we demonstrate that our flow can be trained to approximately sample from the Boltzmann distribution of the DW4 and LJ13 particle systems using only their energy functions.

Local learning rules in biological neural networks (BNNs) are commonly referred to as Hebbian learning. [26] links a biologically motivated Hebbian learning rule to a specific zeroth-order optimization method. In this work, we study a variation of this Hebbian learning rule to recover the regression vector in the linear regression model. Zeroth-order optimization methods are known to converge with suboptimal rate for large parameter dimension compared to first-order methods like gradient descent, and are therefore thought to be in general inferior. By establishing upper and lower bounds, we show, however, that such methods achieve near-optimal rates if only queries of the linear regression loss are available. Moreover, we prove that this Hebbian learning rule can achieve considerably faster rates than any non-adaptive method that selects the queries independently of the data.

Identifying and utilising various biomarkers for tracking Alzheimer's disease (AD) progression have received many recent attentions and enable helping clinicians make the prompt decisions. Traditional progression models focus on extracting morphological biomarkers in regions of interest (ROIs) from MRI/PET images, such as regional average cortical thickness and regional volume. They are effective but ignore the relationships between brain ROIs over time, which would lead to synergistic deterioration. For exploring the synergistic deteriorating relationship between these biomarkers, in this paper, we propose a novel spatio-temporal similarity measure based multi-task learning approach for effectively predicting AD progression and sensitively capturing the critical relationships between biomarkers. Specifically, we firstly define a temporal measure for estimating the magnitude and velocity of biomarker change over time, which indicate a changing trend(temporal). Converting this trend into the vector, we then compare this variability between biomarkers in a unified vector space(spatial). The experimental results show that compared with directly ROI based learning, our proposed method is more effective in predicting disease progression. Our method also enables performing longitudinal stability selection to identify the changing relationships between biomarkers, which play a key role in disease progression. We prove that the synergistic deteriorating biomarkers between cortical volumes or surface areas have a significant effect on the cognitive prediction.

Statistical disparity between distinct treatment groups is one of the most significant challenges for estimating Conditional Average Treatment Effects (CATE). To address this, we introduce a model-agnostic data augmentation method that imputes the counterfactual outcomes for a selected subset of individuals. Specifically, we utilize contrastive learning to learn a representation space and a similarity measure such that in the learned representation space close individuals identified by the learned similarity measure have similar potential outcomes. This property ensures reliable imputation of counterfactual outcomes for the individuals with close neighbors from the alternative treatment group. By augmenting the original dataset with these reliable imputations, we can effectively reduce the discrepancy between different treatment groups, while inducing minimal imputation error. The augmented dataset is subsequently employed to train CATE estimation models. Theoretical analysis and experimental studies on synthetic and semi-synthetic benchmarks demonstrate that our method achieves significant improvements in both performance and robustness to overfitting across state-of-the-art models.

The divergence of the Q-value estimation has been a prominent issue in offline RL, where the agent has no access to real dynamics. Traditional beliefs attribute this instability to querying out-of-distribution actions when bootstrapping value targets. Though this issue can be alleviated with policy constraints or conservative Q estimation, a theoretical understanding of the underlying mechanism causing the divergence has been absent. In this work, we aim to thoroughly comprehend this mechanism and attain an improved solution. We first identify a fundamental pattern, self-excitation, as the primary cause of Q-value estimation divergence in offline RL. Then, we propose a novel Self-Excite Eigenvalue Measure (SEEM) metric based on Neural Tangent Kernel (NTK) to measure the evolving property of Q-network at training, which provides an intriguing explanation of the emergence of divergence. For the first time, our theory can reliably decide whether the training will diverge at an early stage, and even predict the order of the growth for the estimated Q-value, the model's norm, and the crashing step when an SGD optimizer is used. The experiments demonstrate perfect alignment with this theoretic analysis. Building on our insights, we propose to resolve divergence from a novel perspective, namely improving the model's architecture for better extrapolating behavior. Through extensive empirical studies, we identify LayerNorm as a good solution to effectively avoid divergence without introducing detrimental bias, leading to superior performance. Experimental results prove that it can still work in some most challenging settings, i.e. using only 1 transitions of the dataset, where all previous methods fail. Moreover, it can be easily plugged into modern offline RL methods and achieve SOTA results on many challenging tasks. We also give unique insights into its effectiveness.  ( 3 min )

Model fusion is becoming a crucial component in the context of model-as-a-service scenarios, enabling the delivery of high-quality model services to local users. However, this approach introduces privacy risks and imposes certain limitations on its applications. Ensuring secure model exchange and knowledge fusion among users becomes a significant challenge in this setting. To tackle this issue, we propose PrivFusion, a novel architecture that preserves privacy while facilitating model fusion under the constraints of local differential privacy. PrivFusion leverages a graph-based structure, enabling the fusion of models from multiple parties without necessitating retraining. By employing randomized mechanisms, PrivFusion ensures privacy guarantees throughout the fusion process. To enhance model privacy, our approach incorporates a hybrid local differentially private mechanism and decentralized federated graph matching, effectively protecting both activation values and weights. Additionally, we introduce a perturbation filter adapter to alleviate the impact of randomized noise, thereby preserving the utility of the fused model. Through extensive experiments conducted on diverse image datasets and real-world healthcare applications, we provide empirical evidence showcasing the effectiveness of PrivFusion in maintaining model performance while preserving privacy. Our contributions offer valuable insights and practical solutions for secure and collaborative data analysis within the domain of privacy-preserving model fusion.

Continuous diffusion models are commonly acknowledged to display a deterministic probability flow, whereas discrete diffusion models do not. In this paper, we aim to establish the fundamental theory for the probability flow of discrete diffusion models. Specifically, we first prove that the continuous probability flow is the Monge optimal transport map under certain conditions, and also present an equivalent evidence for discrete cases. In view of these findings, we are then able to define the discrete probability flow in line with the principles of optimal transport. Finally, drawing upon our newly established definitions, we propose a novel sampling method that surpasses previous discrete diffusion models in its ability to generate more certain outcomes. Extensive experiments on the synthetic toy dataset and the CIFAR-10 dataset have validated the effectiveness of our proposed discrete probability flow. Code is released at: https://github.com/PangzeCheung/Discrete-Probability-Flow.

This paper considers optimal traffic signal control in smart cities, which has been taken as a complex networked system control problem. Given the interacting dynamics among traffic lights and road networks, attaining controller adaptivity and scalability stands out as a primary challenge. Capturing the spatial-temporal correlation among traffic lights under the framework of Multi-Agent Reinforcement Learning (MARL) is a promising solution. Nevertheless, existing MARL algorithms ignore effective information aggregation which is fundamental for improving the learning capacity of decentralized agents. In this paper, we design a new decentralized control architecture with improved environmental observability to capture the spatial-temporal correlation. Specifically, we first develop a topology-aware information aggregation strategy to extract correlation-related information from unstructured data gathered in the road network. Particularly, we transfer the road network topology into a graph shift operator by forming a diffusion process on the topology, which subsequently facilitates the construction of graph signals. A diffusion convolution module is developed, forming a new MARL algorithm, which endows agents with the capabilities of graph learning. Extensive experiments based on both synthetic and real-world datasets verify that our proposal outperforms existing decentralized algorithms.

Diffusion models have achieved great success in modeling continuous data modalities such as images, audio, and video, but have seen limited use in discrete domains such as language. Recent attempts to adapt diffusion to language have presented diffusion as an alternative to existing pretrained language models. We view diffusion and existing language models as complementary. We demonstrate that encoder-decoder language models can be utilized to efficiently learn high-quality language autoencoders. We then demonstrate that continuous diffusion models can be learned in the latent space of the language autoencoder, enabling us to sample continuous latent representations that can be decoded into natural language with the pretrained decoder. We validate the effectiveness of our approach for unconditional, class-conditional, and sequence-to-sequence language generation. We demonstrate across multiple diverse data sets that our latent language diffusion models are significantly more effective than previous diffusion language models.

Convolutional neural networks (CNNs) models play a vital role in achieving state-of-the-art performances in various technological fields. CNNs are not limited to Natural Language Processing (NLP) or Computer Vision (CV) but also have substantial applications in other technological domains, particularly in cybersecurity. The reliability of CNN's models can be compromised because of their susceptibility to adversarial attacks, which can be generated effortlessly, easily applied, and transferred in real-world scenarios. In this paper, we present a novel and comprehensive method to improve the strength of attacks and assess the transferability of adversarial examples in CNNs when such strength changes, as well as whether the transferability property issue exists in computer network applications. In the context of our study, we initially examined six distinct modes of attack: the Carlini and Wagner (C&W), Fast Gradient Sign Method (FGSM), Iterative Fast Gradient Sign Method (I-FGSM), Jacobian-based Saliency Map (JSMA), Limited-memory Broyden fletcher Goldfarb Shanno (L-BFGS), and Projected Gradient Descent (PGD) attack. We applied these attack techniques on two popular datasets: the CIC and UNSW datasets. The outcomes of our experiment demonstrate that an improvement in transferability occurs in the targeted scenarios for FGSM, JSMA, LBFGS, and other attacks. Our findings further indicate that the threats to security posed by adversarial examples, even in computer network applications, necessitate the development of novel defense mechanisms to enhance the security of DL-based techniques.

Accurate and efficient power flow (PF) analysis is crucial in modern electrical networks' efficient operation and planning. Therefore, there is a need for scalable algorithms capable of handling large-scale power networks that can provide accurate and fast solutions. Graph Neural Networks (GNNs) have emerged as a promising approach for enhancing the speed of PF approximations by leveraging their ability to capture distinctive features from the underlying power network graph. In this study, we introduce PowerFlowNet, a novel GNN architecture for PF approximation that showcases similar performance with the traditional Newton-Raphson method but achieves it 4 times faster in the simple IEEE 14-bus system and 145 times faster in the realistic case of the French high voltage network (6470rte). Meanwhile, it significantly outperforms other traditional approximation methods, such as the DC relaxation method, in terms of performance and execution time; therefore, making PowerFlowNet a highly promising solution for real-world PF analysis. Furthermore, we verify the efficacy of our approach by conducting an in-depth experimental evaluation, thoroughly examining the performance, scalability, interpretability, and architectural dependability of PowerFlowNet. The evaluation provides insights into the behavior and potential applications of GNNs in power system analysis.

This work studies a central extremal graph theory problem inspired by a 1975 conjecture of Erd\H{o}s, which aims to find graphs with a given size (number of nodes) that maximize the number of edges without having 3- or 4-cycles. We formulate this problem as a sequential decision-making problem and compare AlphaZero, a neural network-guided tree search, with tabu search, a heuristic local search method. Using either method, by introducing a curriculum -- jump-starting the search for larger graphs using good graphs found at smaller sizes -- we improve the state-of-the-art lower bounds for several sizes. We also propose a flexible graph-generation environment and a permutation-invariant network architecture for learning to search in the space of graphs.

We propose a novel way to integrate control techniques with reinforcement learning (RL) for stability, robustness, and generalization: leveraging contraction theory to realize modularity in neural control, which ensures that combining stable subsystems can automatically preserve the stability. We realize such modularity via signal composition and dynamic decomposition. Signal composition creates the latent space, within which RL applies to maximizing rewards. Dynamic decomposition is realized by coordinate transformation that creates an auxiliary space, within which the latent signals are coupled in the way that their combination can preserve stability provided each signal, that is, each subsystem, has stable self-feedbacks. Leveraging modularity, the nonlinear stability problem is deconstructed into algebraically solvable ones, the stability of the subsystems in the auxiliary space, yielding linear constraints on the input gradients of control networks that can be as simple as switching the signs of network weights. This minimally invasive method for stability allows arguably easy integration into the modular neural architectures in machine learning, like hierarchical RL, and improves their performance. We demonstrate in simulation the necessity and the effectiveness of our method: the necessity for robustness and generalization, and the effectiveness in improving hierarchical RL for manipulation learning.

This paper presents models created for the Social Media Mining for Health 2023 shared task. Our team addressed the first task, classifying tweets that self-report Covid-19 diagnosis. Our approach involves a classification model that incorporates diverse textual augmentations and utilizes R-drop to augment data and mitigate overfitting, boosting model efficacy. Our leading model, enhanced with R-drop and augmentations like synonym substitution, reserved words, and back translations, outperforms the task mean and median scores. Our system achieves an impressive F1 score of 0.877 on the test set.

In this article, the utility of graph neural network (GNN) surrogates for Monte Carlo (MC) sampling-based risk quantification in daily operations of power grid is investigated. The MC simulation process necessitates solving a large number of optimal power flow (OPF) problems corresponding to the sample values of stochastic grid variables (power demand and renewable generation), which is computationally prohibitive. Computationally inexpensive surrogates of the OPF problem provide an attractive alternative for expedited MC simulation. GNN surrogates are especially suitable due to their superior ability to handle graph-structured data. Therefore, GNN surrogates of OPF problem are trained using supervised learning. They are then used to obtain Monte Carlo (MC) samples of the quantities of interest (operating reserve, transmission line flow) given the (hours-ahead) probabilistic wind generation and load forecast. The utility of GNN surrogates is evaluated by comparing OPF-based and GNN-based grid reliability and risk for IEEE Case118 synthetic grid. It is shown that the GNN surrogates are sufficiently accurate for predicting the (bus-level, branch-level and system-level) grid state and enable fast as well as accurate operational risk quantification for power grids. The article thus develops various tools for fast reliability and risk quantification for real-world power grids using GNNs.

The study of brain states, ranging from highly synchronous to asynchronous neuronal patterns like the sleep-wake cycle, is fundamental for assessing the brain's spatiotemporal dynamics and their close connection to behavior. However, the development of new techniques to accurately identify them still remains a challenge, as these are often compromised by the presence of noise, artifacts, and suboptimal recording quality. In this study, we propose a two-stage computational framework combining Hopfield Networks for artifact data preprocessing with Convolutional Neural Networks (CNNs) for classification of brain states in rat neural recordings under different levels of anesthesia. To evaluate the robustness of our framework, we deliberately introduced noise artifacts into the neural recordings. We evaluated our hybrid Hopfield-CNN pipeline by benchmarking it against two comparative models: a standalone CNN handling the same noisy inputs, and another CNN trained and tested on artifact-free data. Performance across various levels of data compression and noise intensities showed that our framework can effectively mitigate artifacts, allowing the model to reach parity with the clean-data CNN at lower noise levels. Although this study mainly benefits small-scale experiments, the findings highlight the necessity for advanced deep learning and Hopfield Network models to improve scalability and robustness in diverse real-world settings.

Reinforcement learning has been successful across several applications in which agents have to learn to act in environments with sparse feedback. However, despite this empirical success there is still a lack of theoretical understanding of how the parameters of reinforcement learning models and the features used to represent states interact to control the dynamics of learning. In this work, we use concepts from statistical physics, to study the typical case learning curves for temporal difference learning of a value function with linear function approximators. Our theory is derived under a Gaussian equivalence hypothesis where averages over the random trajectories are replaced with temporally correlated Gaussian feature averages and we validate our assumptions on small scale Markov Decision Processes. We find that the stochastic semi-gradient noise due to subsampling the space of possible episodes leads to significant plateaus in the value error, unlike in traditional gradient descent dynamics. We study how learning dynamics and plateaus depend on feature structure, learning rate, discount factor, and reward function. We then analyze how strategies like learning rate annealing and reward shaping can favorably alter learning dynamics and plateaus. To conclude, our work introduces new tools to open a new direction towards developing a theory of learning dynamics in reinforcement learning.  ( 2 min )

Large graphs are present in a variety of domains, including social networks, civil infrastructure, and the physical sciences to name a few. Graph generation is similarly widespread, with applications in drug discovery, network analysis and synthetic datasets among others. While GNN (Graph Neural Network) models have been applied in these domains their high in-memory costs restrict them to small graphs. Conversely less costly rule-based methods struggle to reproduce complex structures. We propose HIGGS (Hierarchical Generation of Graphs) as a model-agnostic framework of producing large graphs with realistic local structures. HIGGS uses GNN models with conditional generation capabilities to sample graphs in hierarchies of resolution. As a result HIGGS has the capacity to extend the scale of generated graphs from a given GNN model by quadratic order. As a demonstration we implement HIGGS using DiGress, a recent graph-diffusion model, including a novel edge-predictive-diffusion variant edge-DiGress. We use this implementation to generate categorically attributed graphs with tens of thousands of nodes. These HIGGS generated graphs are far larger than any previously produced using GNNs. Despite this jump in scale we demonstrate that the graphs produced by HIGGS are, on the local scale, more realistic than those from the rule-based model BTER.  ( 2 min )

Exploration in high-dimensional, continuous spaces with sparse rewards is an open problem in reinforcement learning. Artificial curiosity algorithms address this by creating rewards that lead to exploration. Given a reinforcement learning algorithm capable of maximizing rewards, the problem reduces to finding an optimization objective consistent with exploration. Maximum entropy exploration uses the entropy of the state visitation distribution as such an objective. However, efficiently estimating the entropy of the state visitation distribution is challenging in high-dimensional, continuous spaces. We introduce an artificial curiosity algorithm based on lower bounding an approximation to the entropy of the state visitation distribution. The bound relies on a result we prove for non-parametric density estimation in arbitrary dimensions using k-means. We show that our approach is both computationally efficient and competitive on benchmarks for exploration in high-dimensional, continuous spaces, especially on tasks where reinforcement learning algorithms are unable to find rewards.

One way to interpret the reasoning power of transformer-based language models is to describe the types of logical rules they can resolve over some input text. Recently, Chiang et al. (2023) showed that finite-precision transformers can be equivalently expressed in a generalization of first-order logic. However, finite-precision transformers are a weak transformer variant because, as we show, a single head can only attend to a constant number of tokens and, in particular, cannot represent uniform attention. Since attending broadly is a core capability for transformers, we ask whether a minimally more expressive model that can attend universally can also be characterized in logic. To this end, we analyze transformers whose forward pass is computed in $\log n$ precision on contexts of length $n$. We prove that any log-precision transformer can be equivalently expressed as a first-order logic sentence that, in addition to standard universal and existential quantifiers, may also contain majority-vote quantifiers. This is the tightest known upper bound and first logical characterization of log-precision transformers.  ( 2 min )

Self-supervised representation learning is heavily dependent on data augmentations to specify the invariances encoded in representations. Previous work has shown that applying diverse data augmentations is crucial to downstream performance, but augmentation techniques remain under-explored. In this work, we propose a new family of local transformations based on Gaussian random fields to generate image augmentations for self-supervised representation learning. These transformations generalize the well-established affine and color transformations (translation, rotation, color jitter, etc.) and greatly increase the space of augmentations by allowing transformation parameter values to vary from pixel to pixel. The parameters are treated as continuous functions of spatial coordinates, and modeled as independent Gaussian random fields. Empirical results show the effectiveness of the new transformations for self-supervised representation learning. Specifically, we achieve a 1.7% top-1 accuracy improvement over baseline on ImageNet downstream classification, and a 3.6% improvement on out-of-distribution iNaturalist downstream classification. However, due to the flexibility of the new transformations, learned representations are sensitive to hyperparameters. While mild transformations improve representations, we observe that strong transformations can degrade the structure of an image, indicating that balancing the diversity and strength of augmentations is important for improving generalization of learned representations.

Informally, the 'linear representation hypothesis' is the idea that high-level concepts are represented linearly as directions in some representation space. In this paper, we address two closely related questions: What does "linear representation" actually mean? And, how do we make sense of geometric notions (e.g., cosine similarity or projection) in the representation space? To answer these, we use the language of counterfactuals to give two formalizations of "linear representation", one in the output (word) representation space, and one in the input (sentence) space. We then prove these connect to linear probing and model steering, respectively. To make sense of geometric notions, we use the formalization to identify a particular (non-Euclidean) inner product that respects language structure in a sense we make precise. Using this causal inner product, we show how to unify all notions of linear representation. In particular, this allows the construction of probes and steering vectors using counterfactual pairs. Experiments with LLaMA-2 demonstrate the existence of linear representations of concepts, the connection to interpretation and control, and the fundamental role of the choice of inner product.

Learning image representations using synthetic data allows training neural networks without some of the concerns associated with real images, such as privacy and bias. Existing work focuses on a handful of curated generative processes which require expert knowledge to design, making it hard to scale up. To overcome this, we propose training with a large dataset of twenty-one thousand programs, each one generating a diverse set of synthetic images. These programs are short code snippets, which are easy to modify and fast to execute using OpenGL. The proposed dataset can be used for both supervised and unsupervised representation learning, and reduces the gap between pre-training with real and procedurally generated images by 38%.

Unsupervised representation learning methods are widely used for gaining insight into high-dimensional, unstructured, or structured data. In some cases, users may have prior topological knowledge about the data, such as a known cluster structure or the fact that the data is known to lie along a tree- or graph-structured topology. However, generic methods to ensure such structure is salient in the low-dimensional representations are lacking. This negatively impacts the interpretability of low-dimensional embeddings, and plausibly downstream learning tasks. To address this issue, we introduce topological regularization: a generic approach based on algebraic topology to incorporate topological prior knowledge into low-dimensional embeddings. We introduce a class of topological loss functions, and show that jointly optimizing an embedding loss with such a topological loss function as a regularizer yields embeddings that reflect not only local proximities but also the desired topological structure. We include a self-contained overview of the required foundational concepts in algebraic topology, and provide intuitive guidance on how to design topological loss functions for a variety of shapes, such as clusters, cycles, and bifurcations. We empirically evaluate the proposed approach on computational efficiency, robustness, and versatility in combination with linear and non-linear dimensionality reduction and graph embedding methods.  ( 2 min )

The diffusion model has shown remarkable success in computer vision, but it remains unclear whether the ODE-based probability flow or the SDE-based diffusion model is more superior and under what circumstances. Comparing the two is challenging due to dependencies on data distributions, score training, and other numerical issues. In this paper, we study the problem mathematically for two limiting scenarios: the zero diffusion (ODE) case and the large diffusion case. We first introduce a pulse-shape error to perturb the score function and analyze error accumulation of sampling quality, followed by a thorough analysis for generalization to arbitrary error. Our findings indicate that when the perturbation occurs at the end of the generative process, the ODE model outperforms the SDE model with a large diffusion coefficient. However, when the perturbation occurs earlier, the SDE model outperforms the ODE model, and we demonstrate that the error of sample generation due to such a pulse-shape perturbation is exponentially suppressed as the diffusion term's magnitude increases to infinity. Numerical validation of this phenomenon is provided using Gaussian, Gaussian mixture, and Swiss roll distribution, as well as realistic datasets like MNIST and CIFAR-10.  ( 2 min )

Evaluating and optimizing policies in the presence of unobserved confounders is a problem of growing interest in offline reinforcement learning. Using conventional methods for offline RL in the presence of confounding can not only lead to poor decisions and poor policies, but also have disastrous effects in critical applications such as healthcare and education. We map out the landscape of offline policy evaluation for confounded MDPs, distinguishing assumptions on confounding based on whether they are memoryless and on their effect on the data-collection policies. We characterize settings where consistent value estimates are provably not achievable, and provide algorithms with guarantees to instead estimate lower bounds on the value. When consistent estimates are achievable, we provide algorithms for value estimation with sample complexity guarantees. We also present new algorithms for offline policy improvement and prove local convergence guarantees. Finally, we experimentally evaluate our algorithms on both a gridworld environment and a simulated healthcare setting of managing sepsis patients. In gridworld, our model-based method provides tighter lower bounds than existing methods, while in the sepsis simulator, our methods significantly outperform confounder-oblivious benchmarks.  ( 2 min )

Accurate detection of human presence in indoor environments is important for various applications, such as energy management and security. In this paper, we propose a novel system for human presence detection using the channel state information (CSI) of WiFi signals. Our system named attention-enhanced deep learning for presence detection (ALPD) employs an attention mechanism to automatically select informative subcarriers from the CSI data and a bidirectional long short-term memory (LSTM) network to capture temporal dependencies in CSI. Additionally, we utilize a static feature to improve the accuracy of human presence detection in static states. We evaluate the proposed ALPD system by deploying a pair of WiFi access points (APs) for collecting CSI dataset, which is further compared with several benchmarks. The results demonstrate that our ALPD system outperforms the benchmarks in terms of accuracy, especially in the presence of interference. Moreover, bidirectional transmission data is beneficial to training improving stability and accuracy, as well as reducing the costs of data collection for training. Overall, our proposed ALPD system shows promising results for human presence detection using WiFi CSI signals.  ( 2 min )

With the widespread application of causal inference, it is increasingly important to have tools which can test for the presence of causal effects in a diverse array of circumstances. In this vein we focus on the problem of testing for \emph{distributional} causal effects, where the treatment affects not just the mean, but also higher order moments of the distribution, as well as multidimensional or structured outcomes. We build upon a previously introduced framework, Counterfactual Mean Embeddings, for representing causal distributions within Reproducing Kernel Hilbert Spaces (RKHS) by proposing new, improved, estimators for the distributional embeddings. These improved estimators are inspired by doubly robust estimators of the causal mean, using a similar form within the kernel space. We analyse these estimators, proving they retain the doubly robust property and have improved convergence rates compared to the original estimators. This leads to new permutation based tests for distributional causal effects, using the estimators we propose as tests statistics. We experimentally and theoretically demonstrate the validity of our tests.  ( 2 min )

Synthetic biologists and molecular programmers design novel nucleic acid reactions, with many potential applications. Good visualization tools are needed to help domain experts make sense of the complex outputs of folding pathway simulations of such reactions. Here we present ViDa, a new approach for visualizing DNA reaction folding trajectories over the energy landscape of secondary structures. We integrate a deep graph embedding model with common dimensionality reduction approaches, to map high-dimensional data onto 2D Euclidean space. We assess ViDa on two well-studied and contrasting DNA hybridization reactions. Our preliminary results suggest that ViDa's visualization successfully separates trajectories with different folding mechanisms, thereby providing useful insight to users, and is a big improvement over the current state-of-the-art in DNA kinetics visualization.

We optimize pipeline parallelism for deep neural network (DNN) inference by partitioning model graphs into $k$ stages and minimizing the running time of the bottleneck stage, including communication. We design practical algorithms for this NP-hard problem and show that they are nearly optimal in practice by comparing against strong lower bounds obtained via novel mixed-integer programming (MIP) formulations. We apply these algorithms and lower-bound methods to production models to achieve substantially improved approximation guarantees compared to standard combinatorial lower bounds. For example, evaluated via geometric means across production data with $k=16$ pipeline stages, our MIP formulations more than double the lower bounds, improving the approximation ratio from $2.175$ to $1.058$. This work shows that while max-throughput partitioning is theoretically hard, we have a handle on the algorithmic side of the problem in practice and much of the remaining challenge is in developing more accurate cost models to feed into the partitioning algorithms.

This study delves into the connection between machine learning and lattice field theory by linking generative diffusion models (DMs) with stochastic quantization, from a stochastic differential equation perspective. We show that DMs can be conceptualized by reversing a stochastic process driven by the Langevin equation, which then produces samples from an initial distribution to approximate the target distribution. In a toy model, we highlight the capability of DMs to learn effective actions. Furthermore, we demonstrate its feasibility to act as a global sampler for generating configurations in the two-dimensional $\phi^4$ quantum lattice field theory.

As a dedicated quantum device, Ising machines could solve large-scale binary optimization problems in milliseconds. There is emerging interest in utilizing Ising machines to train feedforward neural networks due to the prosperity of generative artificial intelligence. However, existing methods can only train single-layer feedforward networks because of the complex nonlinear network topology. This paper proposes an Ising learning algorithm to train quantized neural network (QNN), by incorporating two essential techinques, namely binary representation of topological network and order reduction of loss function. As far as we know, this is the first algorithm to train multi-layer feedforward networks on Ising machines, providing an alternative to gradient-based backpropagation. Firstly, training QNN is formulated as a quadratic constrained binary optimization (QCBO) problem by representing neuron connection and activation function as equality constraints. All quantized variables are encoded by binary bits based on binary encoding protocol. Secondly, QCBO is converted to a quadratic unconstrained binary optimization (QUBO) problem, that can be efficiently solved on Ising machines. The conversion leverages both penalty function and Rosenberg order reduction, who together eliminate equality constraints and reduce high-order loss function into a quadratic one. With some assumptions, theoretical analysis shows the space complexity of our algorithm is $\mathcal{O}(H^2L + HLN\log H)$, quantifying the required number of Ising spins. Finally, the algorithm effectiveness is validated with a simulated Ising machine on MNIST dataset. After annealing 700 ms, the classification accuracy achieves 98.3%. Among 100 runs, the success probability of finding the optimal solution is 72%. Along with the increasing number of spins on Ising machine, our algorithm has the potential to train deeper neural networks.

Inferring user preferences from the historical feedback of users is a valuable problem in recommender systems. Conventional approaches often rely on the assumption that user preferences in the feedback data are equivalent to the real user preferences without additional noise, which simplifies the problem modeling. However, there are various confounders during user-item interactions, such as weather and even the recommendation system itself. Therefore, neglecting the influence of confounders will result in inaccurate user preferences and suboptimal performance of the model. Furthermore, the unobservability of confounders poses a challenge in further addressing the problem. To address these issues, we refine the problem and propose a more rational solution. Specifically, we consider the influence of confounders, disentangle them from user preferences in the latent space, and employ causal graphs to model their interdependencies without specific labels. By cleverly combining local and global causal graphs, we capture the user-specificity of confounders on user preferences. We theoretically demonstrate the identifiability of the obtained causal graph. Finally, we propose our model based on Variational Autoencoders, named Causal Structure representation learning of Confounders in latent space (CSC). We conducted extensive experiments on one synthetic dataset and five real-world datasets, demonstrating the superiority of our model. Furthermore, we demonstrate that the learned causal representations of confounders are controllable, potentially offering users fine-grained control over the objectives of their recommendation lists with the learned causal graphs.

Is it secure to measure the reliability of local models by similarity in federated learning (FL)? This paper delves into an unexplored security threat concerning applying similarity metrics, such as the L_2 norm, Euclidean distance, and cosine similarity, in protecting FL. We first uncover the deficiencies of similarity metrics that high-dimensional local models, including benign and poisoned models, may be evaluated to have the same similarity while being significantly different in the parameter values. We then leverage this finding to devise a novel untargeted model poisoning attack, Faker, which launches the attack by simultaneously maximizing the evaluated similarity of the poisoned local model and the difference in the parameter values. Experimental results based on seven datasets and eight defenses show that Faker outperforms the state-of-the-art benchmark attacks by 1.1-9.0X in reducing accuracy and 1.2-8.0X in saving time cost, which even holds for the case of a single malicious client with limited knowledge about the FL system. Moreover, Faker can degrade the performance of the global model by attacking only once. We also preliminarily explore extending Faker to other attacks, such as backdoor attacks and Sybil attacks. Lastly, we provide a model evaluation strategy, called the similarity of partial parameters (SPP), to defend against Faker. Given that numerous mechanisms in FL utilize similarity metrics to assess local models, this work suggests that we should be vigilant regarding the potential risks of using these metrics.

Climate models are essential for assessing the impact of greenhouse gas emissions on our changing climate and the resulting increase in the frequency and severity of natural disasters. Despite the widespread acceptance of climate models produced by the Coupled Model Intercomparison Project (CMIP), they still face challenges in accurately predicting climate extremes, which pose most significant threats to both people and the environment. To address this limitation and improve predictions of natural disaster risks, we introduce Extreme Model Output Statistics (X-MOS). This approach utilizes deep regression techniques to precisely map CMIP model outputs to real measurements obtained from weather stations, which results in a more accurate analysis of the XXI climate extremes. In contrast to previous research, our study places a strong emphasis on enhancing the estimation of the tails of future climate parameter distributions. The latter supports decision-makers, enabling them to better assess climate-related risks across the globe.

Regional climate models (RCMs) are essential tools for simulating and studying regional climate variability and change. However, their high computational cost limits the production of comprehensive ensembles of regional climate projections covering multiple scenarios and driving Global Climate Models (GCMs) across regions. RCM emulators based on deep learning models have recently been introduced as a cost-effective and promising alternative that requires only short RCM simulations to train the models. Therefore, evaluating their transferability to different periods, scenarios, and GCMs becomes a pivotal and complex task in which the inherent biases of both GCMs and RCMs play a significant role. Here we focus on this problem by considering the two different emulation approaches proposed in the literature (PP and MOS, following the terminology introduced in this paper). In addition to standard evaluation techniques, we expand the analysis with methods from the field of eXplainable Artificial Intelligence (XAI), to assess the physical consistency of the empirical links learnt by the models. We find that both approaches are able to emulate certain climatological properties of RCMs for different periods and scenarios (soft transferability), but the consistency of the emulation functions differ between approaches. Whereas PP learns robust and physically meaningful patterns, MOS results are GCM-dependent and lack physical consistency in some cases. Both approaches face problems when transferring the emulation function to other GCMs, due to the existence of GCM-dependent biases (hard transferability). This limits their applicability to build ensembles of regional climate projections. We conclude by giving some prospects for future applications.

Within the context of Graph Signal Processing (GSP), Graph Learning (GL) is concerned with the inference of the graph's underlying structure from nodal observations. However, real-world data often contains diverse information, necessitating the simultaneous clustering and learning of multiple graphs. In practical applications, valuable node-specific covariates, represented as kernels, have been underutilized by existing graph signal clustering methods. In this letter, we propose a new framework, named Kernel-based joint Multiple GL and clustering of graph signals (KMGL), that leverages a multi-convex optimization approach. This allows us to integrate node-side information, construct low-pass filters, and efficiently solve the optimization problem. The experiments demonstrate that KMGL significantly enhances the robustness of GL and clustering, particularly in scenarios with high noise levels and a substantial number of clusters. These findings underscore the potential of KMGL for improving the performance of GSP methods in diverse, real-world applications.

Large language models based on transformers have achieved great empirical successes. However, as they are deployed more widely, there is a growing need to better understand their internal mechanisms in order to make them more reliable. These models appear to store vast amounts of knowledge from their training data, and to adapt quickly to new information provided in their context or prompt. We study how transformers balance these two types of knowledge by considering a synthetic setup where tokens are generated from either global or context-specific bigram distributions. By a careful empirical analysis of the training process on a simplified two-layer transformer, we illustrate the fast learning of global bigrams and the slower development of an "induction head" mechanism for the in-context bigrams. We highlight the role of weight matrices as associative memories, provide theoretical insights on how gradients enable their learning during training, and study the role of data-distributional properties.

Autoformalization is the task of translating natural language materials into machine-verifiable formalisations. Progress in autoformalization research is hindered by the lack of a sizeable dataset consisting of informal-formal pairs expressing the same essence. Existing methods tend to circumvent this challenge by manually curating small corpora or using few-shot learning with large language models. But these methods suffer from data scarcity and formal language acquisition difficulty. In this work, we create $\texttt{MMA}$, a large, flexible, multilingual, and multi-domain dataset of informal-formal pairs, by using a language model to translate in the reverse direction, that is, from formal mathematical statements into corresponding informal ones. Experiments show that language models fine-tuned on $\texttt{MMA}$ produce $16-18\%$ of statements acceptable with minimal corrections on the $\texttt{miniF2F}$ and $\texttt{ProofNet}$ benchmarks, up from $0\%$ with the base model. We demonstrate that fine-tuning on multilingual formal data results in more capable autoformalization models even when deployed on monolingual tasks.

The mean shift (MS) algorithm seeks a mode of the kernel density estimate (KDE). This study presents a convergence guarantee of the mode estimate sequence generated by the MS algorithm and an evaluation of the convergence rate, under fairly mild conditions, with the help of the argument concerning the {\L}ojasiewicz inequality. Our findings extend existing ones covering analytic kernels and the Epanechnikov kernel. Those are significant in that they cover the biweight kernel, which is optimal among non-negative kernels in terms of the asymptotic statistical efficiency for the KDE-based mode estimation.

Wide-angle light scattering (WALS) offers the possibility of a highly temporally and spatially resolved measurement of droplets in spray-based methods for nanoparticle synthesis. The size of these droplets is a critical variable affecting the final properties of synthesized materials such as hetero-aggregates. However, conventional methods for determining droplet sizes from WALS image data are labor-intensive and may introduce biases, particularly when applied to complex systems like spray flame synthesis (SFS). To address these challenges, we introduce a fully automatic machine learning-based approach that employs convolutional neural networks (CNNs) in order to streamline the droplet sizing process. This CNN-based methodology offers further advantages: it requires few manual labels and can utilize transfer learning, making it a promising alternative to conventional methods, specifically with respect to efficiency. To evaluate the performance of our machine learning models, we consider WALS data from an ethanol spray flame process at various heights above the burner surface (HABs), where the models are trained and cross-validated on a large dataset comprising nearly 35000 WALS images.

Recently, large language models (LLMs) have made remarkable progress in natural language processing. The most representative ability of LLMs is in-context learning (ICL), which enables LLMs to learn patterns from in-context exemplars without training. The performance of ICL greatly depends on the exemplars used. However, how to choose exemplars remains unclear due to the lack of understanding of how in-context learning works. In this paper, we present a novel perspective on ICL by conceptualizing it as contextual retrieval from a model of associative memory. We establish a theoretical framework of ICL based on Hopfield Networks. Based on our framework, we look into how in-context exemplars influence the performance of ICL and propose more efficient active exemplar selection. Our study sheds new light on the mechanism of ICL by connecting it to memory retrieval, with potential implications for advancing the understanding of LLMs.

Real-world large-scale datasets are both noisily labeled and class-imbalanced. The issues seriously hurt the generalization of trained models. It is hence significant to address the simultaneous incorrect labeling and class-imbalance, i.e., the problem of learning with noisy labels on long-tailed data. Previous works develop several methods for the problem. However, they always rely on strong assumptions that are invalid or hard to be checked in practice. In this paper, to handle the problem and address the limitations of prior works, we propose a representation calibration method RCAL. Specifically, RCAL works with the representations extracted by unsupervised contrastive learning. We assume that without incorrect labeling and class imbalance, the representations of instances in each class conform to a multivariate Gaussian distribution, which is much milder and easier to be checked. Based on the assumption, we recover underlying representation distributions from polluted ones resulting from mislabeled and class-imbalanced data. Additional data points are then sampled from the recovered distributions to help generalization. Moreover, during classifier training, representation learning takes advantage of representation robustness brought by contrastive learning, which further improves the classifier performance. We derive theoretical results to discuss the effectiveness of our representation calibration. Experiments on multiple benchmarks justify our claims and confirm the superiority of the proposed method.  ( 3 min )

Gaussian processes are arguably the most important class of spatiotemporal models within machine learning. They encode prior information about the modeled function and can be used for exact or approximate Bayesian learning. In many applications, particularly in physical sciences and engineering, but also in areas such as geostatistics and neuroscience, invariance to symmetries is one of the most fundamental forms of prior information one can consider. The invariance of a Gaussian process' covariance to such symmetries gives rise to the most natural generalization of the concept of stationarity to such spaces. In this work, we develop constructive and practical techniques for building stationary Gaussian processes on a very large class of non-Euclidean spaces arising in the context of symmetries. Our techniques make it possible to (i) calculate covariance kernels and (ii) sample from prior and posterior Gaussian processes defined on such spaces, both in a practical manner. This work is split into two parts, each involving different technical considerations: part I studies compact spaces, while part II studies non-compact spaces possessing certain structure. Our contributions make the non-Euclidean Gaussian process models we study compatible with well-understood computational techniques available in standard Gaussian process software packages, thereby making them accessible to practitioners.

This paper revisits datasets and evaluation criteria for Symbolic Regression (SR), specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling ranges of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. We also create another 120 datasets that contain dummy variables to examine whether SR methods can choose necessary variables only. Besides, we propose to use normalized edit distances (NED) between a predicted equation and the true equation trees for addressing a critical issue that existing SR metrics are either binary or errors between the target values and an SR model's predicted values for a given input. We conduct benchmark experiments on our new SRSD datasets using various representative SR methods. The experimental results show that we provide a more realistic performance evaluation, and our user study shows that the NED correlates with human judges significantly more than an existing SR metric.  ( 3 min )

We consider two popular approaches to Knowledge Graph Completion (KGC): textual models that rely on textual entity descriptions, and structure-based models that exploit the connectivity structure of the Knowledge Graph (KG). Preliminary experiments show that these approaches have complementary strengths: structure-based models perform well when the gold answer is easily reachable from the query head in the KG, while textual models exploit descriptions to give good performance even when the gold answer is not reachable. In response, we explore ensembling as a way of combining the best of both approaches. We propose a novel method for learning query-dependent ensemble weights by using the distributions of scores assigned by individual models to all candidate entities. Our ensemble baseline achieves state-of-the-art results on three standard KGC datasets, with up to 6.8 pt MRR and 8.3 pt Hits@1 gains over best individual models.  ( 2 min )

The success of deep active learning hinges on the choice of an effective acquisition function, which ranks not yet labeled data points according to their expected informativeness. Many acquisition functions are (partly) based on the uncertainty that the current model has about the class label of a point, yet there is no generally agreed upon strategy for computing such uncertainty. This paper proposes a new and very simple approach to computing uncertainty in deep active learning with a Convolutional Neural Network (CNN). The main idea is to use the feature representation extracted by the CNN as data for training a Sum-Product Network (SPN). Since SPNs are typically used for estimating the distribution of a dataset, they are well suited to the task of estimating class probabilities that can be used directly by standard acquisition functions such as max entropy and variational ratio. The effectiveness of our method is demonstrated in an experimental study on several standard benchmark datasets for image classification, where we compare it to various state-of-the-art methods for assessing uncertainty in deep active learning.  ( 2 min )

The existence of adversarial examples brings huge concern for people to apply Deep Neural Networks (DNNs) in safety-critical tasks. However, how to generate adversarial examples with categorical data is an important problem but lack of extensive exploration. Previously established methods leverage greedy search method, which can be very time-consuming to conduct successful attack. This also limits the development of adversarial training and potential defenses for categorical data. To tackle this problem, we propose Probabilistic Categorical Adversarial Attack (PCAA), which transfers the discrete optimization problem to a continuous problem that can be solved efficiently by Projected Gradient Descent. In our paper, we theoretically analyze its optimality and time complexity to demonstrate its significant advantage over current greedy based attacks. Moreover, based on our attack, we propose an efficient adversarial training framework. Through a comprehensive empirical study, we justify the effectiveness of our proposed attack and defense algorithms.  ( 2 min )

Accurate 3D object detection (3DOD) is crucial for safe navigation of complex environments by autonomous robots. Regressing accurate 3D bounding boxes in cluttered environments based on sparse LiDAR data is however a highly challenging problem. We address this task by exploring recent advances in conditional energy-based models (EBMs) for probabilistic regression. While methods employing EBMs for regression have demonstrated impressive performance on 2D object detection in images, these techniques are not directly applicable to 3D bounding boxes. In this work, we therefore design a differentiable pooling operator for 3D bounding boxes, serving as the core module of our EBM network. We further integrate this general approach into the state-of-the-art 3D object detector SA-SSD. On the KITTI dataset, our proposed approach consistently outperforms the SA-SSD baseline across all 3DOD metrics, demonstrating the potential of EBM-based regression for highly accurate 3DOD. Code is available at https://github.com/fregu856/ebms_3dod.  ( 2 min )

To handle the scarcity and heterogeneity of electroencephalography (EEG) data in Brain-Computer Interface (BCI) tasks, and to harness the vast public data, we propose Neuro-GPT, a foundation model consisting of an EEG encoder and a GPT model. The foundation model is pre-trained on a large-scale public EEG dataset, using a self-supervised task which learns how to reconstruct the masked chunk in EEG. We then fine-tune the foundation model on a Motor Imagery Classification task where only 9 subjects are available. Experiments demonstrated that applying foundation model can significantly improve classification performance compared to the model trained from scratch, which provides evidence for the advanced generalizability of foundation model and the ability to address the challenges of data scarcity and heterogeneity.  ( 2 min )

Due to the expanding scope of machine learning (ML) to the fields of sensor networking, cooperative robotics and many other multi-agent systems, distributed deployment of inference algorithms has received a lot of attention. These algorithms involve collaboratively learning unknown parameters from dispersed data collected by multiple agents. There are two competing aspects in such algorithms, namely, intra-agent computation and inter-agent communication. Traditionally, algorithms are designed to perform both synchronously. However, certain circumstances need frugal use of communication channels as they are either unreliable, time-consuming, or resource-expensive. In this paper, we propose gossip-based asynchronous communication to leverage fast computations and reduce communication overhead simultaneously. We analyze the effects of multiple (local) intra-agent computations by the active agents between successive inter-agent communications. For local computations, Bayesian sampling via unadjusted Langevin algorithm (ULA) MCMC is utilized. The communication is assumed to be over a connected graph (e.g., as in decentralized learning), however, the results can be extended to coordinated communication where there is a central server (e.g., federated learning). We theoretically quantify the convergence rates in the process. To demonstrate the efficacy of the proposed algorithm, we present simulations on a toy problem as well as on real world data sets to train ML models to perform classification tasks. We observe faster initial convergence and improved performance accuracy, especially in the low data range. We achieve on average 78% and over 90% classification accuracy respectively on the Gamma Telescope and mHealth data sets from the UCI ML repository.  ( 3 min )

Offline meta-reinforcement learning (OMRL) utilizes pre-collected offline datasets to enhance the agent's generalization ability on unseen tasks. However, the context shift problem arises due to the distribution discrepancy between the contexts used for training (from the behavior policy) and testing (from the exploration policy). The context shift problem leads to incorrect task inference and further deteriorates the generalization ability of the meta-policy. Existing OMRL methods either overlook this problem or attempt to mitigate it with additional information. In this paper, we propose a novel approach called Context Shift Reduction for OMRL (CSRO) to address the context shift problem with only offline datasets. The key insight of CSRO is to minimize the influence of policy in context during both the meta-training and meta-test phases. During meta-training, we design a max-min mutual information representation learning mechanism to diminish the impact of the behavior policy on task representation. In the meta-test phase, we introduce the non-prior context collection strategy to reduce the effect of the exploration policy. Experimental results demonstrate that CSRO significantly reduces the context shift and improves the generalization ability, surpassing previous methods across various challenging domains.  ( 2 min )

There is currently a large gap in performance between the statistically rigorous methods like linear regression or additive splines and the powerful deep methods using neural networks. Previous works attempting to close this gap have failed to fully investigate the exponentially growing number of feature combinations which deep networks consider automatically during training. In this work, we develop a tractable selection algorithm to efficiently identify the necessary feature combinations by leveraging techniques in feature interaction detection. Our proposed Sparse Interaction Additive Networks (SIAN) construct a bridge from these simple and interpretable models to fully connected neural networks. SIAN achieves competitive performance against state-of-the-art methods across multiple large-scale tabular datasets and consistently finds an optimal tradeoff between the modeling capacity of neural networks and the generalizability of simpler methods.  ( 2 min )

Appropriate weight initialization settings, along with the ReLU activation function, have been a cornerstone of modern deep learning, making it possible to train and deploy highly effective and efficient neural network models across diverse artificial intelligence. The problem of dying ReLU, where ReLU neurons become inactive and yield zero output, presents a significant challenge in the training of deep neural networks with ReLU activation function. Theoretical research and various methods have been introduced to address the problem. However, even with these methods and research, training remains challenging for extremely deep and narrow feedforward networks with ReLU activation function. In this paper, we propose a new weight initialization method to address this issue. We prove the properties of the proposed initial weight matrix and demonstrate how these properties facilitate the effective propagation of signal vectors. Through a series of experiments and comparisons with existing methods, we demonstrate the effectiveness of the new initialization method.  ( 2 min )

Neural Radiance Field (NeRF) has enabled novel view synthesis with high fidelity given images and camera poses. Subsequent works even succeeded in eliminating the necessity of pose priors by jointly optimizing NeRF and camera pose. However, these works are limited to relatively simple settings such as photometrically consistent and occluder-free image collections or a sequence of images from a video. So they have difficulty handling unconstrained images with varying illumination and transient occluders. In this paper, we propose \textbf{UP-NeRF} (\textbf{U}nconstrained \textbf{P}ose-prior-free \textbf{Ne}ural \textbf{R}adiance \textbf{F}ields) to optimize NeRF with unconstrained image collections without camera pose prior. We tackle these challenges with surrogate tasks that optimize color-insensitive feature fields and a separate module for transient occluders to block their influence on pose estimation. In addition, we introduce a candidate head to enable more robust pose estimation and transient-aware depth supervision to minimize the effect of incorrect prior. Our experiments verify the superior performance of our method compared to the baselines including BARF and its variants in a challenging internet photo collection, \textit{Phototourism} dataset. The code of UP-NeRF is available at \url{https://github.com/mlvlab/UP-NeRF}.  ( 2 min )

Clinical variant classification of pathogenic versus benign genetic variants remains a pivotal challenge in clinical genetics. Recently, the proposition of protein language models has improved the generic variant effect prediction (VEP) accuracy via weakly-supervised or unsupervised training. However, these VEPs are not disease-specific, limiting their adaptation at point-of-care. To address this problem, we propose a disease-specific \textsc{pro}tein language model for variant \textsc{path}ogenicity, termed ProPath, to capture the pseudo-log-likelihood ratio in rare missense variants through a siamese network. We evaluate the performance of ProPath against pre-trained language models, using clinical variant sets in inherited cardiomyopathies and arrhythmias that were not seen during training. Our results demonstrate that ProPath surpasses the pre-trained ESM1b with an over $5\%$ improvement in AUC across both datasets. Furthermore, our model achieved the highest performances across all baselines for both datasets. Thus, our ProPath offers a potent disease-specific variant effect prediction, particularly valuable for disease associations and clinical applicability.  ( 2 min )

Recent progress in empirical and certified robustness promises to deliver reliable and deployable Deep Neural Networks (DNNs). Despite that success, most existing evaluations of DNN robustness have been done on images sampled from the same distribution on which the model was trained. However, in the real world, DNNs may be deployed in dynamic environments that exhibit significant distribution shifts. In this work, we take a first step towards thoroughly investigating the interplay between empirical and certified adversarial robustness on one hand and domain generalization on another. To do so, we train robust models on multiple domains and evaluate their accuracy and robustness on an unseen domain. We observe that: (1) both empirical and certified robustness generalize to unseen domains, and (2) the level of generalizability does not correlate well with input visual similarity, measured by the FID between source and target domains. We also extend our study to cover a real-world medical application, in which adversarial augmentation significantly boosts the generalization of robustness with minimal effect on clean data accuracy.  ( 2 min )

To reduce the heavy computational burden of reactive power optimization of distribution networks, machine learning models are receiving increasing attention. However, most machine learning models (e.g., neural networks) are usually considered as black boxes, making it challenging for power system operators to identify and comprehend potential biases or errors in the decision-making process of machine learning models. To address this issue, an explainable machine-learning framework is proposed to optimize the reactive power in distribution networks. Firstly, a Shapley additive explanation framework is presented to measure the contribution of each input feature to the solution of reactive power optimizations generated from machine learning models. Secondly, a model-agnostic approximation method is developed to estimate Shapley values, so as to avoid the heavy computational burden associated with direct calculations of Shapley values. The simulation results show that the proposed explainable framework can accurately explain the solution of the machine learning model-based reactive power optimization by using visual analytics, from both global and instance perspectives. Moreover, the proposed explainable framework is model-agnostic, and thus applicable to various models (e.g., neural networks).  ( 2 min )

By universal formulas we understand parameterized analytic expressions that have a fixed complexity, but nevertheless can approximate any continuous function on a compact set. There exist various examples of such formulas, including some in the form of neural networks. In this paper we analyze the essential structural elements of these highly expressive models. We introduce a hierarchy of expressiveness classes connecting the global approximability property to the weaker property of infinite VC dimension, and prove a series of classification results for several increasingly complex functional families. In particular, we introduce a general family of polynomially-exponentially-algebraic functions that, as we prove, is subject to polynomial constraints. As a consequence, we show that fixed-size neural networks with not more than one layer of neurons having transcendental activations (e.g., sine or standard sigmoid) cannot in general approximate functions on arbitrary finite sets. On the other hand, we give examples of functional families, including two-hidden-layer neural networks, that approximate functions on arbitrary finite sets, but fail to do that on the whole domain of definition.  ( 2 min )

Robotic agents trained using reinforcement learning have the problem of taking unreliable actions in an out-of-distribution (OOD) state. Agents can easily become OOD in real-world environments because it is almost impossible for them to visit and learn the entire state space during training. Unfortunately, unreliable actions do not ensure that agents perform their original tasks successfully. Therefore, agents should be able to recognize whether they are in OOD states and learn how to return to the learned state distribution rather than continue to take unreliable actions. In this study, we propose a novel method for retraining agents to recover from OOD situations in a self-supervised manner when they fall into OOD states. Our in-depth experimental results demonstrate that our method substantially improves the agent's ability to recover from OOD situations in terms of sample efficiency and restoration of the performance for the original tasks. Moreover, we show that our method can retrain the agent to recover from OOD situations even when in-distribution states are difficult to visit through exploration.  ( 2 min )

Among various acquisition functions (AFs) in Bayesian optimization (BO), Gaussian process upper confidence bound (GP-UCB) and Thompson sampling (TS) are well-known options with established theoretical properties regarding Bayesian cumulative regret (BCR). Recently, it has been shown that a randomized variant of GP-UCB achieves a tighter BCR bound compared with GP-UCB, which we call the tighter BCR bound for brevity. Inspired by this study, this paper first shows that TS achieves the tighter BCR bound. On the other hand, GP-UCB and TS often practically suffer from manual hyperparameter tuning and over-exploration issues, respectively. To overcome these difficulties, we propose yet another AF called a probability of improvement from the maximum of a sample path (PIMS). We show that PIMS achieves the tighter BCR bound and avoids the hyperparameter tuning, unlike GP-UCB. Furthermore, we demonstrate a wide range of experiments, focusing on the effectiveness of PIMS that mitigates the practical issues of GP-UCB and TS.  ( 2 min )

We study a multi-objective pure exploration problem in a multi-armed bandit model. Each arm is associated to an unknown multi-variate distribution and the goal is to identify the distributions whose mean is not uniformly worse than that of another distribution: the Pareto optimal set. We propose and analyze the first algorithms for the \emph{fixed budget} Pareto Set Identification task. We propose Empirical Gap Elimination, a family of algorithms combining a careful estimation of the ``hardness to classify'' each arm in or out of the Pareto set with a generic elimination scheme. We prove that two particular instances, EGE-SR and EGE-SH, have a probability of error that decays exponentially fast with the budget, with an exponent supported by an information theoretic lower-bound. We complement these findings with an empirical study using real-world and synthetic datasets, which showcase the good performance of our algorithms.  ( 2 min )

Model-based RL is a promising approach for real-world robotics due to its improved sample efficiency and generalization capabilities compared to model-free RL. However, effective model-based RL solutions for vision-based real-world applications require bridging the sim-to-real gap for any world model learnt. Due to its significant computational cost, standard domain randomisation does not provide an effective solution to this problem. This paper proposes TWIST (Teacher-Student World Model Distillation for Sim-to-Real Transfer) to achieve efficient sim-to-real transfer of vision-based model-based RL using distillation. Specifically, TWIST leverages state observations as readily accessible, privileged information commonly garnered from a simulator to significantly accelerate sim-to-real transfer. Specifically, a teacher world model is trained efficiently on state information. At the same time, a matching dataset is collected of domain-randomised image observations. The teacher world model then supervises a student world model that takes the domain-randomised image observations as input. By distilling the learned latent dynamics model from the teacher to the student model, TWIST achieves efficient and effective sim-to-real transfer for vision-based model-based RL tasks. Experiments in simulated and real robotics tasks demonstrate that our approach outperforms naive domain randomisation and model-free methods in terms of sample efficiency and task performance of sim-to-real transfer.  ( 2 min )

Code Large Language Models (CodeLLMs) have ushered in a new era of code generation advancements. However, selecting the best solutions from among all possible CodeLLM solutions remains a challenge. Previous methods frequently overlooked the intricate functional similarities and interactions between clusters, resulting in suboptimal results. In this work, we introduce \textit{SRank}, a novel reranking strategy for selecting the best solution from code generation that focuses on modeling inter-cluster relationship. By quantifying the functional overlap between clusters, our approach provides a better ranking strategy of code solutions. Empirical results show that our method achieves a remarkable results on pass@1 score. For instance, on the Human-Eval benchmark, we achieve 69.66\% in pass@1 with Codex002, 75.31\% for WizardCoder, 53.99\% for StarCoder and 60.55\% for CodeGen, which surpass the state-of-the-arts solution ranking methods, such as CodeT and Coder-Reviewer on the same CodeLLM with significant margin ($\approx 6.1\%$ improvement on average). Comparing to the random sampling method, we can achieve an average improvement of $\approx 23.07\%$ on Human-Eval and 17.64\% on MBPP. Even in scenarios with limited test inputs, our approach demonstrates robustness and superiority, marking a new state-of-the-arts in code generation reranking.

Continual learning strives to ensure stability in solving previously seen tasks while demonstrating plasticity in a novel domain. Recent advances in CL are mostly confined to a supervised learning setting, especially in NLP domain. In this work, we consider a few-shot continual active learning (CAL) setting where labeled data is inadequate, and unlabeled data is abundant but with a limited annotation budget. We propose a simple but efficient method, called Meta-Continual Active Learning. Specifically, we employ meta-learning and experience replay to address the trade-off between stability and plasticity. As a result, it finds an optimal initialization that efficiently utilizes annotated information for fast adaptation while preventing catastrophic forgetting of past tasks. We conduct extensive experiments to validate the effectiveness of the proposed method and analyze the effect of various active learning strategies and memory sample selection methods in a few-shot CAL setup. Our experiment results demonstrate that random sampling is the best default strategy for both active learning and memory sample selection to solve few-shot CAL problems.

The use of deep learning for radio modulation recognition has become prevalent in recent years. This approach automatically extracts high-dimensional features from large datasets, facilitating the accurate classification of modulation schemes. However, in real-world scenarios, it may not be feasible to gather sufficient training data in advance. Data augmentation is a method used to increase the diversity and quantity of training dataset and to reduce data sparsity and imbalance. In this paper, we propose data augmentation methods that involve replacing detail coefficients decomposed by discrete wavelet transform for reconstructing to generate new samples and expand the training set. Different generation methods are used to generate replacement sequences. Simulation results indicate that our proposed methods significantly outperform the other augmentation methods.

Two-level stochastic optimization formulations have become instrumental in a number of machine learning contexts such as continual learning, neural architecture search, adversarial learning, and hyperparameter tuning. Practical stochastic bilevel optimization problems become challenging in optimization or learning scenarios where the number of variables is high or there are constraints. In this paper, we introduce a bilevel stochastic gradient method for bilevel problems with nonlinear and possibly nonconvex lower-level constraints. We also present a comprehensive convergence theory that addresses both the lower-level unconstrained and constrained cases and covers all inexact calculations of the adjoint gradient (also called hypergradient), such as the inexact solution of the lower-level problem, inexact computation of the adjoint formula (due to the inexact solution of the adjoint equation or use of a truncated Neumann series), and noisy estimates of the gradients, Hessians, and Jacobians involved. To promote the use of bilevel optimization in large-scale learning, we have developed new low-rank practical bilevel stochastic gradient methods (BSG-N-FD and~BSG-1) that do not require second-order derivatives and, in the lower-level unconstrained case, dismiss any matrix-vector products.  ( 2 min )

Pre-trained multi-modal models, such as CLIP, provide transferable embeddings and show promising results in diverse applications. However, the analysis of learned multi-modal embeddings is relatively unexplored, and the embedding transferability can be improved. In this work, we observe that CLIP holds separated embedding subspaces for two different modalities, and then we investigate it through the lens of uniformity-alignment to measure the quality of learned representation. Both theoretically and empirically, we show that CLIP retains poor uniformity and alignment even after fine-tuning. Such a lack of alignment and uniformity might restrict the transferability and robustness of embeddings. To this end, we devise a new fine-tuning method for robust representation equipping better alignment and uniformity. First, we propose a Geodesic Multi-Modal Mixup that mixes the embeddings of image and text to generate hard negative samples on the hypersphere. Then, we fine-tune the model on hard negatives as well as original negatives and positives with contrastive loss. Based on the theoretical analysis about hardness guarantee and limiting behavior, we justify the use of our method. Extensive experiments on retrieval, calibration, few- or zero-shot classification (under distribution shift), embedding arithmetic, and image captioning further show that our method provides transferable representations, enabling robust model adaptation on diverse tasks. Code: https://github.com/changdaeoh/multimodal-mixup  ( 3 min )

Previous studies have developed fairness methods for biased models that exhibit discriminatory behaviors towards specific subgroups. While these models have shown promise in achieving fair predictions, recent research has identified their potential vulnerability to score-based membership inference attacks (MIAs). In these attacks, adversaries can infer whether a particular data sample was used during training by analyzing the model's prediction scores. However, our investigations reveal that these score-based MIAs are ineffective when targeting fairness-enhanced models in binary classifications. The attack models trained to launch the MIAs degrade into simplistic threshold models, resulting in lower attack performance. Meanwhile, we observe that fairness methods often lead to prediction performance degradation for the majority subgroups of the training data. This raises the barrier to successful attacks and widens the prediction gaps between member and non-member data. Building upon these insights, we propose an efficient MIA method against fairness-enhanced models based on fairness discrepancy results (FD-MIA). It leverages the difference in the predictions from both the original and fairness-enhanced models and exploits the observed prediction gaps as attack clues. We also explore potential strategies for mitigating privacy leakages. Extensive experiments validate our findings and demonstrate the efficacy of the proposed method.  ( 2 min )

Self-supervised learning has been actively studied in time series domain recently, especially for masked reconstruction. Most of these methods follow the "Pre-training + Fine-tuning" paradigm in which a new decoder replaces the pre-trained decoder to fit for a specific downstream task, leading to inconsistency of upstream and downstream tasks. In this paper, we first point out that the unification of task objectives and adaptation for task difficulty are critical for bridging the gap between time series masked reconstruction and forecasting. By reserving the pre-trained mask token during fine-tuning stage, the forecasting task can be taken as a special case of masked reconstruction, where the future values are masked and reconstructed based on history values. It guarantees the consistency of task objectives but there is still a gap in task difficulty. Because masked reconstruction can utilize contextual information while forecasting can only use historical information to reconstruct. To further mitigate the existed gap, we propose a simple yet effective prompt token tuning (PT-Tuning) paradigm, in which all pre-trained parameters are frozen and only a few trainable prompt tokens are added to extended mask tokens in element-wise manner. Extensive experiments on real-world datasets demonstrate the superiority of our proposed paradigm with state-of-the-art performance compared to representation learning and end-to-end supervised forecasting methods.  ( 3 min )

Large Language Models (LLMs) are huge artificial neural networks which primarily serve to generate text, but also provide a very sophisticated probabilistic model of language use. Since generating a semantically consistent text requires a form of effective memory, we investigate the memory properties of LLMs and find surprising similarities with key characteristics of human memory. This result strongly suggests that the biological features of human memory leave an imprint on the way that we structure our textual narratives.  ( 2 min )

Curriculum learning (CL) aims to increase the performance of a learner on a given task by applying a specialized learning strategy. This strategy focuses on either the dataset, the task, or the model. There is little to no work analysing the possibilities to apply CL on the model capacity in natural language processing. To close this gap, we propose the cup curriculum. In a first phase of training we use a variation of iterative magnitude pruning to reduce model capacity. These weights are reintroduced in a second phase, resulting in the model capacity to show a cup-shaped curve over the training iterations. We empirically evaluate different strategies of the cup curriculum and show that it outperforms early stopping reliably while exhibiting a high resilience to overfitting.  ( 2 min )

We study differentially private stochastic convex optimization (DP-SCO) under user-level privacy, where each user may hold multiple data items. Existing work for user-level DP-SCO either requires super-polynomial runtime [Ghazi et al. (2023)] or requires the number of users to grow polynomially with the dimensionality of the problem with additional strict assumptions [Bassily et al. (2023)]. We develop new algorithms for user-level DP-SCO that obtain optimal rates for both convex and strongly convex functions in polynomial time and require the number of users to grow only logarithmically in the dimension. Moreover, our algorithms are the first to obtain optimal rates for non-smooth functions in polynomial time. These algorithms are based on multiple-pass DP-SGD, combined with a novel private mean estimation procedure for concentrated data, which applies an outlier removal step before estimating the mean of the gradients.  ( 2 min )

This paper introduces a new, unsupervised method for automatic video summarization using ideas from generative adversarial networks but eliminating the discriminator, having a simple loss function, and separating training of different parts of the model. An iterative training strategy is also applied by alternately training the reconstructor and the frame selector for multiple iterations. Furthermore, a trainable mask vector is added to the model in summary generation during training and evaluation. The method also includes an unsupervised model selection algorithm. Results from experiments on two public datasets (SumMe and TVSum) and four datasets we created (Soccer, LoL, MLB, and ShortMLB) demonstrate the effectiveness of each component on the model performance, particularly the iterative training strategy. Evaluations and comparisons with the state-of-the-art methods highlight the advantages of the proposed method in performance, stability, and training efficiency.  ( 2 min )

Temporal graph representation learning aims to generate low-dimensional dynamic node embeddings to capture temporal information as well as structural and property information. Current representation learning methods for temporal networks often focus on capturing fine-grained information, which may lead to the model capturing random noise instead of essential semantic information. While graph contrastive learning has shown promise in dealing with noise, it only applies to static graphs or snapshots and may not be suitable for handling time-dependent noise. To alleviate the above challenge, we propose a novel Temporal Graph representation learning with Adaptive augmentation Contrastive (TGAC) model. The adaptive augmentation on the temporal graph is made by combining prior knowledge with temporal information, and the contrastive objective function is constructed by defining the augmented inter-view contrast and intra-view contrast. To complement TGAC, we propose three adaptive augmentation strategies that modify topological features to reduce noise from the network. Our extensive experiments on various real networks demonstrate that the proposed model outperforms other temporal graph representation learning methods.  ( 2 min )

In this paper, we present the results of the NeurIPS-2022 Neural MMO Challenge, which attracted 500 participants and received over 1,600 submissions. Like the previous IJCAI-2022 Neural MMO Challenge, it involved agents from 16 populations surviving in procedurally generated worlds by collecting resources and defeating opponents. This year's competition runs on the latest v1.6 Neural MMO, which introduces new equipment, combat, trading, and a better scoring system. These elements combine to pose additional robustness and generalization challenges not present in previous competitions. This paper summarizes the design and results of the challenge, explores the potential of this environment as a benchmark for learning methods, and presents some practical reinforcement learning training approaches for complex tasks with sparse rewards. Additionally, we have open-sourced our baselines, including environment wrappers, benchmarks, and visualization tools for future research.  ( 2 min )

The recent years have been marked by extended research on adversarial attacks, especially on deep neural networks. With this work we intend on posing and investigating the question of whether the phenomenon might be more general in nature, that is, adversarial-style attacks outside classical classification tasks. Specifically, we investigate optimization problems as they constitute a fundamental part of modern AI research. To this end, we consider the base class of optimizers namely Linear Programs (LPs). On our initial attempt of a na\"ive mapping between the formalism of adversarial examples and LPs, we quickly identify the key ingredients missing for making sense of a reasonable notion of adversarial examples for LPs. Intriguingly, the formalism of Pearl's notion to causality allows for the right description of adversarial like examples for LPs. Characteristically, we show the direct influence of the Structural Causal Model (SCM) onto the subsequent LP optimization, which ultimately exposes a notion of confounding in LPs (inherited by said SCM) that allows for adversarial-style attacks. We provide both the general proof formally alongside existential proofs of such intriguing LP-parameterizations based on SCM for three combinatorial problems, namely Linear Assignment, Shortest Path and a real world problem of energy systems.

A Top Two sampling rule for bandit identification is a method which selects the next arm to sample from among two candidate arms, a leader and a challenger. Due to their simplicity and good empirical performance, they have received increased attention in recent years. However, for fixed-confidence best arm identification, theoretical guarantees for Top Two methods have only been obtained in the asymptotic regime, when the error level vanishes. In this paper, we derive the first non-asymptotic upper bound on the expected sample complexity of a Top Two algorithm, which holds for any error level. Our analysis highlights sufficient properties for a regret minimization algorithm to be used as leader. These properties are satisfied by the UCB algorithm, and our proposed UCB-based Top Two algorithm simultaneously enjoys non-asymptotic guarantees and competitive empirical performance.  ( 2 min )

Discriminatively trained, deterministic neural networks are the de facto choice for classification problems. However, even though they achieve state-of-the-art results on in-domain test sets, they tend to be overconfident on out-of-distribution (OOD) data. For instance, ReLU networks -- a popular class of neural network architectures -- have been shown to almost always yield high confidence predictions when the test data are far away from the training set, even when they are trained with OOD data. We overcome this problem by adding a term to the output of the neural network that corresponds to the logit of an extra class, that we design to dominate the logits of the original classes as we move away from the training data.This technique provably prevents arbitrarily high confidence on far-away test data while maintaining a simple discriminative point-estimate training. Evaluation on various benchmarks demonstrates strong performance against competitive baselines on both far-away and realistic OOD data.  ( 2 min )

Federated learning (FL) has shown promising potential in safeguarding data privacy in healthcare collaborations. While the term "FL" was originally coined by the engineering community, the statistical field has also explored similar privacy-preserving algorithms. Statistical FL algorithms, however, remain considerably less recognized than their engineering counterparts. Our goal was to bridge the gap by presenting the first comprehensive comparison of FL frameworks from both engineering and statistical domains. We evaluated five FL frameworks using both simulated and real-world data. The results indicate that statistical FL algorithms yield less biased point estimates for model coefficients and offer convenient confidence interval estimations. In contrast, engineering-based methods tend to generate more accurate predictions, sometimes surpassing central pooled and statistical FL models. This study underscores the relative strengths and weaknesses of both types of methods, emphasizing the need for increased awareness and their integration in future FL applications.  ( 2 min )

Resting-state functional magnetic resonance imaging (rsfMRI) is a powerful tool for investigating the relationship between brain function and cognitive processes as it allows for the functional organization of the brain to be captured without relying on a specific task or stimuli. In this paper, we present a novel modeling architecture called BrainRGIN for predicting intelligence (fluid, crystallized, and total intelligence) using graph neural networks on rsfMRI derived static functional network connectivity matrices. Extending from the existing graph convolution networks, our approach incorporates a clustering-based embedding and graph isomorphism network in the graph convolutional layer to reflect the nature of the brain sub-network organization and efficient network expression, in combination with TopK pooling and attention-based readout functions. We evaluated our proposed architecture on a large dataset, specifically the Adolescent Brain Cognitive Development Dataset, and demonstrated its effectiveness in predicting individual differences in intelligence. Our model achieved lower mean squared errors and higher correlation scores than existing relevant graph architectures and other traditional machine learning models for all of the intelligence prediction tasks. The middle frontal gyrus exhibited a significant contribution to both fluid and crystallized intelligence, suggesting their pivotal role in these cognitive processes. Total composite scores identified a diverse set of brain regions to be relevant which underscores the complex nature of total intelligence.  ( 3 min )

In this paper, neural network approximation methods are developed for elliptic partial differential equations with multi-frequency solutions. Neural network work approximation methods have advantages over classical approaches in that they can be applied without much concerns on the form of the differential equations or the shape or dimension of the problem domain. When applied to problems with multi-frequency solutions, the performance and accuracy of neural network approximation methods are strongly affected by the contrast of the high- and low-frequency parts in the solutions. To address this issue, domain scaling and residual correction methods are proposed. The efficiency and accuracy of the proposed methods are demonstrated for multi-frequency model problems.  ( 2 min )

Inverse reinforcement learning (IRL) seeks to learn the reward function from expert trajectories, to understand the task for imitation or collaboration thereby removing the need for manual reward engineering. However, IRL in the context of large, high-dimensional problems with unknown dynamics has been particularly challenging. In this paper, we present a new Variational Lower Bound for IRL (VLB-IRL), which is derived under the framework of a probabilistic graphical model with an optimality node. Our method simultaneously learns the reward function and policy under the learned reward function by maximizing the lower bound, which is equivalent to minimizing the reverse Kullback-Leibler divergence between an approximated distribution of optimality given the reward function and the true distribution of optimality given trajectories. This leads to a new IRL method that learns a valid reward function such that the policy under the learned reward achieves expert-level performance on several known domains. Importantly, the method outperforms the existing state-of-the-art IRL algorithms on these domains by demonstrating better reward from the learned policy.  ( 2 min )

Research in scientific disciplines evolves, often rapidly, over time with the emergence of novel methodologies and their associated terminologies. While methodologies themselves being conceptual in nature and rather difficult to automatically extract and characterise, in this paper, we seek to develop supervised models for automatic extraction of the names of the various constituents of a methodology, e.g., `R-CNN', `ELMo' etc. The main research challenge for this task is effectively modeling the contexts around these methodology component names in a few-shot or even a zero-shot setting. The main contributions of this paper towards effectively identifying new evolving scientific methodology names are as follows: i) we propose a factored approach to sequence modeling, which leverages a broad-level category information of methodology domains, e.g., `NLP', `RL' etc.; ii) to demonstrate the feasibility of our proposed approach of identifying methodology component names under a practical setting of fast evolving AI literature, we conduct experiments following a simulated chronological setup (newer methodologies not seen during the training process); iii) our experiments demonstrate that the factored approach outperforms state-of-the-art baselines by margins of up to 9.257\% for the methodology extraction task with the few-shot setup.  ( 2 min )

Cross-platform verification, a critical undertaking in the realm of early-stage quantum computing, endeavors to characterize the similarity of two imperfect quantum devices executing identical algorithms, utilizing minimal measurements. While the random measurement approach has been instrumental in this context, the quasi-exponential computational demand with increasing qubit count hurdles its feasibility in large-qubit scenarios. To bridge this knowledge gap, here we introduce an innovative multimodal learning approach, recognizing that the formalism of data in this task embodies two distinct modalities: measurement outcomes and classical description of compiled circuits on explored quantum devices, both enriched with unique information. Building upon this insight, we devise a multimodal neural network to independently extract knowledge from these modalities, followed by a fusion operation to create a comprehensive data representation. The learned representation can effectively characterize the similarity between the explored quantum devices when executing new quantum algorithms not present in the training data. We evaluate our proposal on platforms featuring diverse noise models, encompassing system sizes up to 50 qubits. The achieved results demonstrate a three-orders-of-magnitude improvement in prediction accuracy compared to the random measurements and offer compelling evidence of the complementary roles played by each modality in cross-platform verification. These findings pave the way for harnessing the power of multimodal learning to overcome challenges in wider quantum system learning tasks.  ( 2 min )

Massive transformer-based models face several challenges, including slow and computationally intensive pre-training and over-parametrization. This paper addresses these challenges by proposing a versatile method called GQKVA, which generalizes query, key, and value grouping techniques. GQKVA is designed to speed up transformer pre-training while reducing the model size. Our experiments with various GQKVA variants highlight a clear trade-off between performance and model size, allowing for customized choices based on resource and time limitations. Our findings also indicate that the conventional multi-head attention approach is not always the best choice, as there are lighter and faster alternatives available. We tested our method on ViT, which achieved an approximate 0.3% increase in accuracy while reducing the model size by about 4% in the task of image classification. Additionally, our most aggressive model reduction experiment resulted in a reduction of approximately 15% in model size, with only around a 1% drop in accuracy.  ( 2 min )

We present a new high-level synthesis methodology for using large language model tools to generate hardware designs. The methodology uses exclusively open-source tools excluding the large language model. As a case study, we use our methodology to generate a permuted congruential random number generator design with a wishbone interface. We verify the functionality and quality of the random number generator design using large language model-generated simulations and the Dieharder randomness test suite. We document all the large language model chat logs, Python scripts, Verilog scripts, and simulation results used in the case study. We believe that our method of hardware design generation coupled with the open source silicon 130 nm design tools will revolutionize application-specific integrated circuit design. Our methodology significantly lowers the bar to entry when building domain-specific computing accelerators for the Internet of Things and proof of concept prototypes for later fabrication in more modern process nodes.  ( 2 min )

The exponential growth of data has sparked computational demands on ML research and industry use. Sparsification of hyper-parametrized deep neural networks (DNNs) creates simpler representations of complex data. Past research has shown that some sparse networks achieve similar performance as dense ones, reducing runtime and storage. RadiX-Nets, a subgroup of sparse DNNs, maintain uniformity which counteracts their lack of neural connections. Generation, independent of a dense network, yields faster asymptotic training and removes the need for costly pruning. However, little work has been done on RadiX-Nets, making testing challenging. This paper presents a testing suite for RadiX-Nets in TensorFlow. We test RadiX-Net performance to streamline processing in scalable models, revealing relationships between network topology, initialization, and training behavior. We also encounter "strange models" that train inconsistently and to lower accuracy while models of similar sparsity train well.  ( 2 min )

Federated learning (FL) is an emerging paradigm for training deep neural networks (DNNs) in distributed manners. Current FL approaches all suffer from high communication overhead and information leakage. In this work, we present a federated learning algorithm based on evolution strategies (FedES), a zeroth-order training method. Instead of transmitting model parameters, FedES only communicates loss values, and thus has very low communication overhead. Moreover, a third party is unable to estimate gradients without knowing the pre-shared seed, which protects data privacy. Experimental results demonstrate FedES can achieve the above benefits while keeping convergence performance the same as that with back propagation methods.  ( 2 min )

One of the most promising developments in computer vision in recent years is the use of generative neural networks for functionality condition-based 3D design reconstruction and generation. Here, neural networks learn dependencies between functionalities and a geometry in a very effective way. For a neural network the functionalities are translated in conditions to a certain geometry. But the more conditions the design generation needs to reflect, the more difficult it is to learn clear dependencies. This leads to a multi criteria design problem due various conditions, which are not considered in the neural network structure so far. In this paper, we address this multi-criteria challenge for a 3D design use case related to an unmanned aerial vehicle (UAV) motor mount. We generate 10,000 abstract 3D designs and subject them all to simulations for three physical disciplines: mechanics, thermodynamics, and aerodynamics. Then, we train a Conditional Variational Autoencoder (CVAE) using the geometry and corresponding multicriteria functional constraints as input. We use our trained CVAE as well as the Marching cubes algorithm to generate meshes for simulation based evaluation. The results are then evaluated with the generated UAV designs. Subsequently, we demonstrate the ability to generate optimized designs under self-defined functionality conditions using the trained neural network.  ( 3 min )

We consider the problem of \emph{blocked} collaborative bandits where there are multiple users, each with an associated multi-armed bandit problem. These users are grouped into \emph{latent} clusters such that the mean reward vectors of users within the same cluster are identical. Our goal is to design algorithms that maximize the cumulative reward accrued by all the users over time, under the \emph{constraint} that no arm of a user is pulled more than $\mathsf{B}$ times. This problem has been originally considered by \cite{Bresler:2014}, and designing regret-optimal algorithms for it has since remained an open problem. In this work, we propose an algorithm called \texttt{B-LATTICE} (Blocked Latent bAndiTs via maTrIx ComplEtion) that collaborates across users, while simultaneously satisfying the budget constraints, to maximize their cumulative rewards. Theoretically, under certain reasonable assumptions on the latent structure, with $\mathsf{M}$ users, $\mathsf{N}$ arms, $\mathsf{T}$ rounds per user, and $\mathsf{C}=O(1)$ latent clusters, \texttt{B-LATTICE} achieves a per-user regret of $\widetilde{O}(\sqrt{\mathsf{T}(1 + \mathsf{N}\mathsf{M}^{-1})}$ under a budget constraint of $\mathsf{B}=\Theta(\log \mathsf{T})$. These are the first sub-linear regret bounds for this problem, and match the minimax regret bounds when $\mathsf{B}=\mathsf{T}$. Empirically, we demonstrate that our algorithm has superior performance over baselines even when $\mathsf{B}=1$. \texttt{B-LATTICE} runs in phases where in each phase it clusters users into groups and collaborates across users within a group to quickly learn their reward models.  ( 2 min )

While recommender systems have become an integral component of the Web experience, their heavy reliance on user data raises privacy and security concerns. Substituting user data with synthetic data can address these concerns, but accurately replicating these real-world datasets has been a notoriously challenging problem. Recent advancements in generative AI have demonstrated the impressive capabilities of diffusion models in generating realistic data across various domains. In this work we introduce a Score-based Diffusion Recommendation Model (SDRM), which captures the intricate patterns of real-world datasets required for training highly accurate recommender systems. SDRM allows for the generation of synthetic data that can replace existing datasets to preserve user privacy, or augment existing datasets to address excessive data sparsity. Our method outperforms competing baselines such as generative adversarial networks, variational autoencoders, and recently proposed diffusion models in synthesizing various datasets to replace or augment the original data by an average improvement of 4.30% in Recall@$n$ and 4.65% in NDCG@$n$.  ( 2 min )

Snow Water-Equivalent (SWE) -- the amount of water available if snowpack is melted -- is a key decision variable used by water management agencies to make irrigation, flood control, power generation and drought management decisions. SWE values vary spatiotemporally -- affected by weather, topography and other environmental factors. While daily SWE can be measured by Snow Telemetry (SNOTEL) stations with requisite instrumentation, such stations are spatially sparse requiring interpolation techniques to create spatiotemporally complete data. While recent efforts have explored machine learning (ML) for SWE prediction, a number of recent ML advances have yet to be considered. The main contribution of this paper is to explore one such ML advance, attention mechanisms, for SWE prediction. Our hypothesis is that attention has a unique ability to capture and exploit correlations that may exist across locations or the temporal spectrum (or both). We present a generic attention-based modeling framework for SWE prediction and adapt it to capture spatial attention and temporal attention. Our experimental results on 323 SNOTEL stations in the Western U.S. demonstrate that our attention-based models outperform other machine learning approaches. We also provide key results highlighting the differences between spatial and temporal attention in this context and a roadmap toward deployment for generating spatially-complete SWE maps.  ( 2 min )

Deep learning models are widely used in critical applications, highlighting the need for pre-deployment model understanding and improvement. Visual concept-based methods, while increasingly used for this purpose, face challenges: (1) most concepts lack interpretability, (2) existing methods require model knowledge, often unavailable at run time. Additionally, (3) there lacks a no-code method for post-understanding model improvement. Addressing these, we present InterVLS. The system facilitates model understanding by discovering text-aligned concepts, measuring their influence with model-agnostic linear surrogates. Employing visual analytics, InterVLS offers concept-based explanations and performance insights. It enables users to adjust concept influences to update a model, facilitating no-code model improvement. We evaluate InterVLS in a user study, illustrating its functionality with two scenarios. Results indicates that InterVLS is effective to help users identify influential concepts to a model, gain insights and adjust concept influence to improve the model. We conclude with a discussion based on our study results.  ( 2 min )

Variational Autoencoders (VAEs) have proven to be effective models for producing latent representations of cognitive and semantic value. We assess the degree to which VAEs trained on a prototypical tonal music corpus of 371 Bach's chorales define latent spaces representative of the circle of fifths and the hierarchical relation of each key component pitch as drawn in music cognition. In detail, we compare the latent space of different VAE corpus encodings -- Piano roll, MIDI, ABC, Tonnetz, DFT of pitch, and pitch class distributions -- in providing a pitch space for key relations that align with cognitive distances. We evaluate the model performance of these encodings using objective metrics to capture accuracy, mean square error (MSE), KL-divergence, and computational cost. The ABC encoding performs the best in reconstructing the original data, while the Pitch DFT seems to capture more information from the latent space. Furthermore, an objective evaluation of 12 major or minor transpositions per piece is adopted to quantify the alignment of 1) intra- and inter-segment distances per key and 2) the key distances to cognitive pitch spaces. Our results show that Pitch DFT VAE latent spaces align best with cognitive spaces and provide a common-tone space where overlapping objects within a key are fuzzy clusters, which impose a well-defined order of structural significance or stability -- i.e., a tonal hierarchy. Tonal hierarchies of different keys can be used to measure key distances and the relationships of their in-key components at multiple hierarchies (e.g., notes and chords). The implementation of our VAE and the encodings framework are made available online.  ( 3 min )

Ensuring fairness in decision-making systems within Human-Cyber-Physical-Systems (HCPS) is a pressing concern, particularly when diverse individuals, each with varying behaviors and expectations, coexist within the same application space, influenced by a shared set of control actions in the system. The long-term adverse effects of these actions further pose the challenge, as historical experiences and interactions shape individual perceptions of fairness. This paper addresses the challenge of fairness from an equity perspective of adverse effects, taking into account the dynamic nature of human behavior and evolving preferences while recognizing the lasting impact of adverse effects. We formally introduce the concept of Fairness-in-Adverse-Effects (FinA) within the HCPS context. We put forth a comprehensive set of five formulations for FinA, encompassing both the instantaneous and long-term aspects of adverse effects. To empirically validate the effectiveness of our FinA approach, we conducted an evaluation within the domain of smart homes, a pertinent HCPS application. The outcomes of our evaluation demonstrate that the adoption of FinA significantly enhances the overall perception of fairness among individuals, yielding an average improvement of 66.7% when compared to the state-of-the-art method.  ( 2 min )

Consistency-based diagnosis is an established approach to diagnose technical applications, but suffers from significant modeling efforts, especially for dynamic multi-modal time series. Machine learning seems to be an obvious solution, which becomes less obvious when looking at details: Which notion of consistency can be used? If logical calculi are still to be used, how can dynamic time series be transferred into the discrete world? This paper presents the methodology Discret2Di for automated learning of logical expressions for consistency-based diagnosis. While these logical calculi have advantages by providing a clear notion of consistency, they have the key problem of relying on a discretization of the dynamic system. The solution presented combines machine learning from both the time series and the symbolic domain to automate the learning of logical rules for consistency-based diagnosis.  ( 2 min )

Low-Rank Markov Decision Processes (MDPs) have recently emerged as a promising framework within the domain of reinforcement learning (RL), as they allow for provably approximately correct (PAC) learning guarantees while also incorporating ML algorithms for representation learning. However, current methods for low-rank MDPs are limited in that they only consider finite action spaces, and give vacuous bounds as $|\mathcal{A}| \to \infty$, which greatly limits their applicability. In this work, we study the problem of extending such methods to settings with continuous actions, and explore multiple concrete approaches for performing this extension. As a case study, we consider the seminal FLAMBE algorithm (Agarwal et al., 2020), which is a reward-agnostic method for PAC RL with low-rank MDPs. We show that, without any modifications to the algorithm, we obtain similar PAC bound when actions are allowed to be continuous. Specifically, when the model for transition functions satisfies a Holder smoothness condition w.r.t. actions, and either the policy class has a uniformly bounded minimum density or the reward function is also Holder smooth, we obtain a polynomial PAC bound that depends on the order of smoothness.  ( 2 min )

Single-cell RNA sequencing (scRNA-seq) is important to transcriptomic analysis of gene expression. Recently, deep learning has facilitated the analysis of high-dimensional single-cell data. Unfortunately, deep learning models may leak sensitive information about users. As a result, Differential Privacy (DP) is increasingly used to protect privacy. However, existing DP methods usually perturb whole neural networks to achieve differential privacy, and hence result in great performance overheads. To address this challenge, in this paper, we take advantage of the uniqueness of the autoencoder that it outputs only the dimension-reduced vector in the middle of the network, and design a Differentially Private Deep Contrastive Autoencoder Network (DP-DCAN) by partial network perturbation for single-cell clustering. Since only partial network is added with noise, the performance improvement is obvious and twofold: one part of network is trained with less noise due to a bigger privacy budget, and the other part is trained without any noise. Experimental results of six datasets have verified that DP-DCAN is superior to the traditional DP scheme with whole network perturbation. Moreover, DP-DCAN demonstrates strong robustness to adversarial attacks. The code is available at https://github.com/LFD-byte/DP-DCAN.  ( 2 min )

Training large-scale artificial intelligence (AI) models demands significant computational power and energy, leading to increased carbon footprint with potential environmental repercussions. This paper delves into the challenges of training AI models across geographically distributed (geo-distributed) data centers, emphasizing the balance between learning performance and carbon footprint. We consider Federated Learning (FL) as a solution, which prioritizes model parameter exchange over raw data, ensuring data privacy and compliance with local regulations. Given the variability in carbon intensity across regions, we propose a new framework called CAFE (short for Carbon-Aware Federated Learning) to optimize training within a fixed carbon footprint budget. Our approach incorporates coreset selection to assess learning performance, employs the Lyapunov drift-plus-penalty framework to address the unpredictability of future carbon intensity, and devises an efficient algorithm to address the combinatorial complexity of the data center selection. Through extensive simulations using real-world carbon intensity data, we demonstrate the efficacy of our algorithm, highlighting its superiority over existing methods in optimizing learning performance while minimizing environmental impact.  ( 2 min )

The adoption of diagnosis and prognostic algorithms in healthcare has led to concerns about the perpetuation of bias against disadvantaged groups of individuals. Deep learning methods to detect and mitigate bias have revolved around modifying models, optimization strategies, and threshold calibration with varying levels of success. Here, we generate a data-centric, model-agnostic, task-agnostic approach to evaluate dataset bias by investigating the relationship between how easily different groups are learned at small sample sizes (AEquity). We then apply a systematic analysis of AEq values across subpopulations to identify and mitigate manifestations of racial bias in two known cases in healthcare - Chest X-rays diagnosis with deep convolutional neural networks and healthcare utilization prediction with multivariate logistic regression. AEq is a novel and broadly applicable metric that can be applied to advance equity by diagnosing and remediating bias in healthcare datasets.  ( 2 min )

Visualization tools can help synthetic biologists and molecular programmers understand the complex reactive pathways of nucleic acid reactions, which can be designed for many potential applications and can be modelled using a continuous-time Markov chain (CTMC). Here we present ViDa, a new visualization approach for DNA reaction trajectories that uses a 2D embedding of the secondary structure state space underlying the CTMC model. To this end, we integrate a scattering transform of the secondary structure adjacency, a variational autoencoder, and a nonlinear dimensionality reduction method. We augment the training loss with domain-specific supervised terms that capture both thermodynamic and kinetic features. We assess ViDa on two well-studied DNA hybridization reactions. Our results demonstrate that the domain-specific features lead to significant quality improvements over the state-of-the-art in DNA state space visualization, successfully separating different folding pathways and thus providing useful insights into dominant reaction mechanisms.  ( 2 min )

Try to generate new bridge types using generative artificial intelligence technology. The grayscale images of the bridge facade with the change of component width was rendered by 3dsMax animation software, and then the OpenCV module performed an appropriate amount of geometric transformation (rotation, horizontal scale, vertical scale) to obtain the image dataset of three-span beam bridge, arch bridge, cable-stayed bridge and suspension bridge. Based on Python programming language, TensorFlow and Keras deep learning platform framework, variational autoencoder was constructed and trained, and low-dimensional bridge-type latent space that is convenient for vector operations was obtained. Variational autoencoder can combine two bridge types on the basis of the original of human into one that is a new bridge type. Generative artificial intelligence technology can assist bridge designers in bridge-type innovation, and can be used as copilot.  ( 2 min )

We study a multi-objective pure exploration problem in a multi-armed bandit model. Each arm is associated to an unknown multi-variate distribution and the goal is to identify the distributions whose mean is not uniformly worse than that of another distribution: the Pareto optimal set. We propose and analyze the first algorithms for the \emph{fixed budget} Pareto Set Identification task. We propose Empirical Gap Elimination, a family of algorithms combining a careful estimation of the ``hardness to classify'' each arm in or out of the Pareto set with a generic elimination scheme. We prove that two particular instances, EGE-SR and EGE-SH, have a probability of error that decays exponentially fast with the budget, with an exponent supported by an information theoretic lower-bound. We complement these findings with an empirical study using real-world and synthetic datasets, which showcase the good performance of our algorithms.  ( 2 min )

We identify a new phenomenon in neural network optimization which arises from the interaction of depth and a particular heavy-tailed structure in natural data. Our result offers intuitive explanations for several previously reported observations about network training dynamics. In particular, it implies a conceptually new cause for progressive sharpening and the edge of stability; we also highlight connections to other concepts in optimization and generalization including grokking, simplicity bias, and Sharpness-Aware Minimization. Experimentally, we demonstrate the significant influence of paired groups of outliers in the training data with strong opposing signals: consistent, large magnitude features which dominate the network output throughout training and provide gradients which point in opposite directions. Due to these outliers, early optimization enters a narrow valley which carefully balances the opposing groups; subsequent sharpening causes their loss to rise rapidly, oscillating between high on one group and then the other, until the overall loss spikes. We describe how to identify these groups, explore what sets them apart, and carefully study their effect on the network's optimization and behavior. We complement these experiments with a mechanistic explanation on a toy example of opposing signals and a theoretical analysis of a two-layer linear network on a simple model. Our finding enables new qualitative predictions of training behavior which we confirm experimentally. It also provides a new lens through which to study and improve modern training practices for stochastic optimization, which we highlight via a case study of Adam versus SGD.  ( 3 min )

We introduce AdaSub, a stochastic optimization algorithm that computes a search direction based on second-order information in a low-dimensional subspace that is defined adaptively based on available current and past information. Compared to first-order methods, second-order methods exhibit better convergence characteristics, but the need to compute the Hessian matrix at each iteration results in excessive computational expenses, making them impractical. To address this issue, our approach enables the management of computational expenses and algorithm efficiency by enabling the selection of the subspace dimension for the search. Our code is freely available on GitHub, and our preliminary numerical results demonstrate that AdaSub surpasses popular stochastic optimizers in terms of time and number of iterations required to reach a given accuracy.  ( 2 min )

We present a computationally efficient framework, called FlowDRO, for solving flow-based distributionally robust optimization (DRO) problems with Wasserstein uncertainty sets while aiming to find continuous worst-case distribution (also called the Least Favorable Distribution, LFD). The requirement for LFD to be continuous is so that the algorithm can be scalable to problems with larger sample sizes and achieve better generalization capability for the induced robust algorithms. To tackle the computationally challenging infinitely dimensional optimization problem, we leverage flow-based models and continuous-time invertible transport maps between the data distribution and the target distribution. We also develop a Wasserstein proximal gradient flow type of algorithm. In theory, we establish the equivalence of the solution by optimal transport map to the original formulation, as well as the dual form of the problem through Wasserstein calculus and Brenier theorem. In practice, we parameterize the transport maps by a sequence of neural networks progressively trained in blocks by gradient descent. Our computational framework is general, can handle high-dimensional data with large sample sizes, and can be useful for various applications. We demonstrate its usage in adversarial learning, distributionally robust hypothesis testing, and a new mechanism for data-driven distribution perturbation differential privacy, where the proposed method gives strong empirical performance on real high-dimensional data.  ( 2 min )

A Top Two sampling rule for bandit identification is a method which selects the next arm to sample from among two candidate arms, a leader and a challenger. Due to their simplicity and good empirical performance, they have received increased attention in recent years. However, for fixed-confidence best arm identification, theoretical guarantees for Top Two methods have only been obtained in the asymptotic regime, when the error level vanishes. In this paper, we derive the first non-asymptotic upper bound on the expected sample complexity of a Top Two algorithm, which holds for any error level. Our analysis highlights sufficient properties for a regret minimization algorithm to be used as leader. These properties are satisfied by the UCB algorithm, and our proposed UCB-based Top Two algorithm simultaneously enjoys non-asymptotic guarantees and competitive empirical performance.  ( 2 min )

Sequential maximization of expected improvement (EI) is one of the most widely used policies in Bayesian optimization because of its simplicity and ability to handle noisy observations. In particular, the improvement function often uses the best posterior mean as the best incumbent in noisy settings. However, the uncertainty associated with the incumbent solution is often neglected in many analytic EI-type methods: a closed-form acquisition function is derived in the noise-free setting, but then applied to the setting with noisy observations. To address this limitation, we propose a modification of EI that corrects its closed-form expression by incorporating the covariance information provided by the Gaussian Process (GP) model. This acquisition function specializes to the classical noise-free result, and we argue should replace that formula in Bayesian optimization software packages, tutorials, and textbooks. This enhanced acquisition provides good generality for noisy and noiseless settings. We show that our method achieves a sublinear convergence rate on the cumulative regret bound under heteroscedastic observation noise. Our empirical results demonstrate that our proposed acquisition function can outperform EI in the presence of noisy observations on benchmark functions for black-box optimization, as well as on parameter search for neural network model compression.  ( 2 min )

As control engineering methods are applied to increasingly complex systems, data-driven approaches for system identification appear as a promising alternative to physics-based modeling. While the Bayesian approaches prevalent for safety-critical applications usually rely on the availability of state measurements, the states of a complex system are often not directly measurable. It may then be necessary to jointly estimate the dynamics and the latent state, making the quantification of uncertainties and the design of controllers with formal performance guarantees considerably more challenging. This paper proposes a novel method for the computation of an optimal input trajectory for unknown nonlinear systems with latent states based on a combination of particle Markov chain Monte Carlo methods and scenario theory. Probabilistic performance guarantees are derived for the resulting input trajectory, and an approach to validate the performance of arbitrary control laws is presented. The effectiveness of the proposed method is demonstrated in a numerical simulation.  ( 2 min )

Among various acquisition functions (AFs) in Bayesian optimization (BO), Gaussian process upper confidence bound (GP-UCB) and Thompson sampling (TS) are well-known options with established theoretical properties regarding Bayesian cumulative regret (BCR). Recently, it has been shown that a randomized variant of GP-UCB achieves a tighter BCR bound compared with GP-UCB, which we call the tighter BCR bound for brevity. Inspired by this study, this paper first shows that TS achieves the tighter BCR bound. On the other hand, GP-UCB and TS often practically suffer from manual hyperparameter tuning and over-exploration issues, respectively. To overcome these difficulties, we propose yet another AF called a probability of improvement from the maximum of a sample path (PIMS). We show that PIMS achieves the tighter BCR bound and avoids the hyperparameter tuning, unlike GP-UCB. Furthermore, we demonstrate a wide range of experiments, focusing on the effectiveness of PIMS that mitigates the practical issues of GP-UCB and TS.  ( 2 min )

Optimal transport (OT) theory and the related $p$-Wasserstein distance ($W_p$, $p\geq 1$) are widely-applied in statistics and machine learning. In spite of their popularity, inference based on these tools is sensitive to outliers or it can perform poorly when the underlying model has heavy-tails. To cope with these issues, we introduce a new class of procedures. (i) We consider a robust version of the primal OT problem (ROBOT) and show that it defines the {robust Wasserstein distance}, $W^{(\lambda)}$, which depends on a tuning parameter $\lambda > 0$. (ii) We illustrate the link between $W_1$ and $W^{(\lambda)}$ and study its key measure theoretic aspects. (iii) We derive some concentration inequalities for $W^{(\lambda)}$. (iii) We use $W^{(\lambda)}$ to define minimum distance estimators, we provide their statistical guarantees and we illustrate how to apply concentration inequalities for the selection of $\lambda$. (v) We derive the {dual} form of the ROBOT and illustrate its applicability to machine learning problems (generative adversarial networks and domain adaptation). Numerical exercises provide evidence of the benefits yielded by our methods.  ( 2 min )

Energy-based models (EBMs) have experienced a resurgence within machine learning in recent years, including as a promising alternative for probabilistic regression. However, energy-based regression requires a proposal distribution to be manually designed for training, and an initial estimate has to be provided at test-time. We address both of these issues by introducing a conceptually simple method to automatically learn an effective proposal distribution, which is parameterized by a separate network head. To this end, we derive a surprising result, leading to a unified training objective that jointly minimizes the KL divergence from the proposal to the EBM, and the negative log-likelihood of the EBM. At test-time, we can then employ importance sampling with the trained proposal to efficiently evaluate the learned EBM and produce stand-alone predictions. Furthermore, we utilize our derived training objective to learn mixture density networks (MDNs) with a jointly trained energy-based teacher, consistently outperforming conventional MDN training on four real-world regression tasks within computer vision. Code is available at https://github.com/fregu856/ebms_proposals.  ( 2 min )

Maximum mean discrepancy (MMD) refers to a general class of nonparametric two-sample tests that are based on maximizing the mean difference over samples from one distribution $P$ versus another $Q$, over all choices of data transformations $f$ living in some function space $\mathcal{F}$. Inspired by recent work that connects what are known as functions of $\textit{Radon bounded variation}$ (RBV) and neural networks (Parhi and Nowak, 2021, 2023), we study the MMD defined by taking $\mathcal{F}$ to be the unit ball in the RBV space of a given smoothness order $k \geq 0$. This test, which we refer to as the $\textit{Radon-Kolmogorov-Smirnov}$ (RKS) test, can be viewed as a generalization of the well-known and classical Kolmogorov-Smirnov (KS) test to multiple dimensions and higher orders of smoothness. It is also intimately connected to neural networks: we prove that the witness in the RKS test -- the function $f$ achieving the maximum mean difference -- is always a ridge spline of degree $k$, i.e., a single neuron in a neural network. This allows us to leverage the power of modern deep learning toolkits to (approximately) optimize the criterion that underlies the RKS test. We prove that the RKS test has asymptotically full power at distinguishing any distinct pair $P \not= Q$ of distributions, derive its asymptotic null distribution, and carry out extensive experiments to elucidate the strengths and weakenesses of the RKS test versus the more traditional kernel MMD test.  ( 3 min )

We analyze the dynamics of finite width effects in wide but finite feature learning neural networks. Starting from a dynamical mean field theory description of infinite width deep neural network kernel and prediction dynamics, we provide a characterization of the $O(1/\sqrt{\text{width}})$ fluctuations of the DMFT order parameters over random initializations of the network weights. Our results, while perturbative in width, unlike prior analyses, are non-perturbative in the strength of feature learning. In the lazy limit of network training, all kernels are random but static in time and the prediction variance has a universal form. However, in the rich, feature learning regime, the fluctuations of the kernels and predictions are dynamically coupled with a variance that can be computed self-consistently. In two layer networks, we show how feature learning can dynamically reduce the variance of the final tangent kernel and final network predictions. We also show how initialization variance can slow down online learning in wide but finite networks. In deeper networks, kernel variance can dramatically accumulate through subsequent layers at large feature learning strengths, but feature learning continues to improve the signal-to-noise ratio of the feature kernels. In discrete time, we demonstrate that large learning rate phenomena such as edge of stability effects can be well captured by infinite width dynamics and that initialization variance can decrease dynamically. For CNNs trained on CIFAR-10, we empirically find significant corrections to both the bias and variance of network dynamics due to finite width.  ( 3 min )

The mean shift (MS) algorithm seeks a mode of the kernel density estimate (KDE). This study presents a convergence guarantee of the mode estimate sequence generated by the MS algorithm and an evaluation of the convergence rate, under fairly mild conditions, with the help of the argument concerning the {\L}ojasiewicz inequality. Our findings extend existing ones covering analytic kernels and the Epanechnikov kernel. Those are significant in that they cover the biweight kernel, which is optimal among non-negative kernels in terms of the asymptotic statistical efficiency for the KDE-based mode estimation.  ( 2 min )

Gaussian processes are arguably the most important class of spatiotemporal models within machine learning. They encode prior information about the modeled function and can be used for exact or approximate Bayesian learning. In many applications, particularly in physical sciences and engineering, but also in areas such as geostatistics and neuroscience, invariance to symmetries is one of the most fundamental forms of prior information one can consider. The invariance of a Gaussian process' covariance to such symmetries gives rise to the most natural generalization of the concept of stationarity to such spaces. In this work, we develop constructive and practical techniques for building stationary Gaussian processes on a very large class of non-Euclidean spaces arising in the context of symmetries. Our techniques make it possible to (i) calculate covariance kernels and (ii) sample from prior and posterior Gaussian processes defined on such spaces, both in a practical manner. This work is split into two parts, each involving different technical considerations: part I studies compact spaces, while part II studies non-compact spaces possessing certain structure. Our contributions make the non-Euclidean Gaussian process models we study compatible with well-understood computational techniques available in standard Gaussian process software packages, thereby making them accessible to practitioners.  ( 3 min )

Ultra-widefield (UWF) fundus images are replacing traditional fundus images in screening, detection, prediction, and treatment of complications related to myopia because their much broader visual range is advantageous for highly myopic eyes. Spherical equivalent (SE) is extensively used as the main myopia outcome measure, and axial length (AL) has drawn increasing interest as an important ocular component for assessing myopia. Cutting-edge studies show that SE and AL are strongly correlated. Using the joint information from SE and AL is potentially better than using either separately. In the deep learning community, though there is research on multiple-response tasks with a 3D image biomarker, dependence among responses is only sporadically taken into consideration. Inspired by the spirit that information extracted from the data by statistical methods can improve the prediction accuracy of deep learning models, we formulate a class of multivariate response regression models with a higher-order tensor biomarker, for the bivariate tasks of regression-classification and regression-regression. Specifically, we propose a copula-enhanced convolutional neural network (CeCNN) framework that incorporates the dependence between responses through a Gaussian copula (with parameters estimated from a warm-up CNN) and uses the induced copula-likelihood loss with the backbone CNNs. We establish the statistical framework and algorithms for the aforementioned two bivariate tasks. We show that the CeCNN has better prediction accuracy after adding the dependency information to the backbone models. The modeling and the proposed CeCNN algorithm are applicable beyond the UWF scenario and can be effective with other backbones beyond ResNet and LeNet.  ( 3 min )

Large language models based on transformers have achieved great empirical successes. However, as they are deployed more widely, there is a growing need to better understand their internal mechanisms in order to make them more reliable. These models appear to store vast amounts of knowledge from their training data, and to adapt quickly to new information provided in their context or prompt. We study how transformers balance these two types of knowledge by considering a synthetic setup where tokens are generated from either global or context-specific bigram distributions. By a careful empirical analysis of the training process on a simplified two-layer transformer, we illustrate the fast learning of global bigrams and the slower development of an "induction head" mechanism for the in-context bigrams. We highlight the role of weight matrices as associative memories, provide theoretical insights on how gradients enable their learning during training, and study the role of data-distributional properties.  ( 2 min )

Accurate 3D object detection (3DOD) is crucial for safe navigation of complex environments by autonomous robots. Regressing accurate 3D bounding boxes in cluttered environments based on sparse LiDAR data is however a highly challenging problem. We address this task by exploring recent advances in conditional energy-based models (EBMs) for probabilistic regression. While methods employing EBMs for regression have demonstrated impressive performance on 2D object detection in images, these techniques are not directly applicable to 3D bounding boxes. In this work, we therefore design a differentiable pooling operator for 3D bounding boxes, serving as the core module of our EBM network. We further integrate this general approach into the state-of-the-art 3D object detector SA-SSD. On the KITTI dataset, our proposed approach consistently outperforms the SA-SSD baseline across all 3DOD metrics, demonstrating the potential of EBM-based regression for highly accurate 3DOD. Code is available at https://github.com/fregu856/ebms_3dod.  ( 2 min )

We present an exact Bayesian inference method for discrete statistical models, which can find exact solutions to a large class of discrete inference problems, even with infinite support and continuous priors. To express such models, we introduce a probabilistic programming language that supports discrete and continuous sampling, discrete observations, affine functions, (stochastic) branching, and conditioning on discrete events. Our key tool is probability generating functions: they provide a compact closed-form representation of distributions that are definable by programs, thus enabling the exact computation of posterior probabilities, expectation, variance, and higher moments. Our inference method is provably correct and fully automated in a tool called Genfer, which uses automatic differentiation (specifically, Taylor polynomials), but does not require computer algebra. Our experiments show that Genfer is often faster than the existing exact inference tools PSI, Dice, and Prodigy. On a range of real-world inference problems that none of these exact tools can solve, Genfer's performance is competitive with approximate Monte Carlo methods, while avoiding approximation errors.  ( 2 min )

Recent works in dimensionality reduction for regression tasks have introduced the notion of sensitivity, an estimate of the importance of a specific datapoint in a dataset, offering provable guarantees on the quality of the approximation after removing low-sensitivity datapoints via subsampling. However, fast algorithms for approximating $\ell_p$ sensitivities, which we show is equivalent to approximate $\ell_p$ regression, are known for only the $\ell_2$ setting, in which they are termed leverage scores. In this work, we provide efficient algorithms for approximating $\ell_p$ sensitivities and related summary statistics of a given matrix. In particular, for a given $n \times d$ matrix, we compute $\alpha$-approximation to its $\ell_1$ sensitivities at the cost of $O(n/\alpha)$ sensitivity computations. For estimating the total $\ell_p$ sensitivity (i.e. the sum of $\ell_p$ sensitivities), we provide an algorithm based on importance sampling of $\ell_p$ Lewis weights, which computes a constant factor approximation to the total sensitivity at the cost of roughly $O(\sqrt{d})$ sensitivity computations. Furthermore, we estimate the maximum $\ell_1$ sensitivity, up to a $\sqrt{d}$ factor, using $O(d)$ sensitivity computations. We generalize all these results to $\ell_p$ norms for $p > 1$. Lastly, we experimentally show that for a wide class of matrices in real-world datasets, the total sensitivity can be quickly approximated and is significantly smaller than the theoretical prediction, demonstrating that real-world datasets have low intrinsic effective dimensionality.  ( 2 min )

Ratings are frequently used to evaluate and compare subjects in various applications, from education to healthcare, because ratings provide succinct yet credible measures for comparing subjects. However, when multiple rating lists are combined or considered together, subjects often have missing ratings, because most rating lists do not rate every subject in the combined list. In this study, we propose analyses on missing value patterns using six real-world data sets in various applications, as well as the conditions for applicability of imputation algorithms. Based on the special structures and properties derived from the analyses, we propose optimization models and algorithms that minimize the total rating discordance across rating providers to impute missing ratings in the combined rating lists, using only the known rating information. The total rating discordance is defined as the sum of the pairwise discordance metric, which can be written as a quadratic function. Computational experiments based on real-world and synthetic rating data sets show that the proposed methods outperform the state-of-the-art general imputation methods in the literature in terms of imputation accuracy.  ( 2 min )

Models that rely solely on pairwise relationships often fail to capture the complete statistical structure of the complex multivariate data found in diverse domains, such as socio-economic, ecological, or biomedical systems. Non-trivial dependencies between groups of more than two variables can play a significant role in the analysis and modelling of such systems, yet extracting such high-order interactions from data remains challenging. Here, we introduce a hierarchy of $d$-order ($d \geq 2$) interaction measures, increasingly inclusive of possible factorisations of the joint probability distribution, and define non-parametric, kernel-based tests to establish systematically the statistical significance of $d$-order interactions. We also establish mathematical links with lattice theory, which elucidate the derivation of the interaction measures and their composite permutation tests; clarify the connection of simplicial complexes with kernel matrix centring; and provide a means to enhance computational efficiency. We illustrate our results numerically with validations on synthetic data, and through an application to neuroimaging data.  ( 2 min )

Forecasts of regional electricity net-demand, consumption minus embedded generation, are an essential input for reliable and economic power system operation, and energy trading. While such forecasts are typically performed region by region, operations such as managing power flows require spatially coherent joint forecasts, which account for cross-regional dependencies. Here, we forecast the joint distribution of net-demand across the 14 regions constituting Great Britain's electricity network. Joint modelling is complicated by the fact that the net-demand variability within each region, and the dependencies between regions, vary with temporal, socio-economical and weather-related factors. We accommodate for these characteristics by proposing a multivariate Gaussian model based on a modified Cholesky parametrisation, which allows us to model each unconstrained parameter via an additive model. Given that the number of model parameters and covariates is large, we adopt a semi-automated approach to model selection, based on gradient boosting. In addition to comparing the forecasting performance of several versions of the proposed model with that of two non-Gaussian copula-based models, we visually explore the model output to interpret how the covariates affect net-demand variability and dependencies. The code for reproducing the results in this paper is available at https://doi.org/10.5281/zenodo.7315105, while methods for building and fitting multivariate Gaussian additive models are provided by the SCM R package, available at https://github.com/VinGioia90/SCM.  ( 2 min )

We study the training dynamics of a shallow neural network with quadratic activation functions and quadratic cost in a teacher-student setup. In line with previous works on the same neural architecture, the optimization is performed following the gradient flow on the population risk, where the average over data points is replaced by the expectation over their distribution, assumed to be Gaussian.We first derive convergence properties for the gradient flow and quantify the overparameterization that is necessary to achieve a strong signal recovery. Then, assuming that the teachers and the students at initialization form independent orthonormal families, we derive a high-dimensional limit for the flow and show that the minimal overparameterization is sufficient for strong recovery. We verify by numerical experiments that these results hold for more general initializations.  ( 2 min )

Many networked datasets with units interacting in groups of two or more, encoded with hypergraphs, are accompanied by extra information about nodes, such as the role of an individual in a workplace. Here we show how these node attributes can be used to improve our understanding of the structure resulting from higher-order interactions. We consider the problem of community detection in hypergraphs and develop a principled model that combines higher-order interactions and node attributes to better represent the observed interactions and to detect communities more accurately than using either of these types of information alone. The method learns automatically from the input data the extent to which structure and attributes contribute to explain the data, down weighing or discarding attributes if not informative. Our algorithmic implementation is efficient and scales to large hypergraphs and interactions of large numbers of units. We apply our method to a variety of systems, showing strong performance in hyperedge prediction tasks and in selecting community divisions that correlate with attributes when these are informative, but discarding them otherwise. Our approach illustrates the advantage of using informative node attributes when available with higher-order data.  ( 2 min )

Preserving training dynamics across batch sizes is an important tool for practical machine learning as it enables the trade-off between batch size and wall-clock time. This trade-off is typically enabled by a scaling rule, for example, in stochastic gradient descent, one should scale the learning rate linearly with the batch size. Another important machine learning tool is the model EMA, a functional copy of a target model, whose parameters move towards those of its target model according to an Exponential Moving Average (EMA) at a rate parameterized by a momentum hyperparameter. This model EMA can improve the robustness and generalization of supervised learning, stabilize pseudo-labeling, and provide a learning signal for Self-Supervised Learning (SSL). Prior works have not considered the optimization of the model EMA when performing scaling, leading to different training dynamics across batch sizes and lower model performance. In this work, we provide a scaling rule for optimization in the presence of a model EMA and demonstrate the rule's validity across a range of architectures, optimizers, and data modalities. We also show the rule's validity where the model EMA contributes to the optimization of the target model, enabling us to train EMA-based pseudo-labeling and SSL methods at small and large batch sizes. For SSL, we enable training of BYOL up to batch size 24,576 without sacrificing performance, a 6$\times$ wall-clock time reduction under idealized hardware settings.  ( 3 min )

With the widespread application of causal inference, it is increasingly important to have tools which can test for the presence of causal effects in a diverse array of circumstances. In this vein we focus on the problem of testing for \emph{distributional} causal effects, where the treatment affects not just the mean, but also higher order moments of the distribution, as well as multidimensional or structured outcomes. We build upon a previously introduced framework, Counterfactual Mean Embeddings, for representing causal distributions within Reproducing Kernel Hilbert Spaces (RKHS) by proposing new, improved, estimators for the distributional embeddings. These improved estimators are inspired by doubly robust estimators of the causal mean, using a similar form within the kernel space. We analyse these estimators, proving they retain the doubly robust property and have improved convergence rates compared to the original estimators. This leads to new permutation based tests for distributional causal effects, using the estimators we propose as tests statistics. We experimentally and theoretically demonstrate the validity of our tests.  ( 2 min )

We study scalable machine learning models for full event reconstruction in high-energy electron-positron collisions based on a highly granular detector simulation. Particle-flow reconstruction can be formulated as a supervised learning task using tracks and calorimeter clusters or hits. We compare a graph neural network and kernel-based transformer and demonstrate that both avoid quadratic memory allocation and computational cost while achieving realistic reconstruction. We show that hyperparameter tuning on a supercomputer significantly enhances the physics performance of the models, improving the jet transverse momentum resolution by up to 50% compared to the baseline. The resulting model is highly portable across hardware processors. Finally, we demonstrate that the model can be trained on highly granular inputs consisting of tracks and calorimeter hits, resulting in a competitive physics performance with the baseline. Datasets and software to reproduce the studies are published following the findable, accessible, interoperable, and reusable principles.  ( 2 min )

The aim of this paper is to make clear and precise the relationship between the Rubin causal model (RCM) and structural causal model (SCM) frameworks for causal inference. Adopting a neutral logical perspective, and drawing on previous work, we show what is required for an RCM to be representable by an SCM. A key result then shows that every RCM -- including those that violate algebraic principles implied by the SCM framework -- emerges as an abstraction of some representable RCM. Finally, we illustrate the power of this conciliatory perspective by pinpointing an important role for SCM principles in classic applications of RCMs; conversely, we offer a characterization of the algebraic constraints implied by a graph, helping to substantiate further comparisons between the two frameworks.  ( 2 min )

There is currently a large gap in performance between the statistically rigorous methods like linear regression or additive splines and the powerful deep methods using neural networks. Previous works attempting to close this gap have failed to fully investigate the exponentially growing number of feature combinations which deep networks consider automatically during training. In this work, we develop a tractable selection algorithm to efficiently identify the necessary feature combinations by leveraging techniques in feature interaction detection. Our proposed Sparse Interaction Additive Networks (SIAN) construct a bridge from these simple and interpretable models to fully connected neural networks. SIAN achieves competitive performance against state-of-the-art methods across multiple large-scale tabular datasets and consistently finds an optimal tradeoff between the modeling capacity of neural networks and the generalizability of simpler methods.  ( 2 min )

We study versions of Hilbert's projective metric for spaces of integrable functions of bounded growth. These metrics originate from cones which are relaxations of the cone of all non-negative functions, in the sense that they include all functions having non-negative integral values when multiplied with certain test functions. We show that kernel integral operators are contractions with respect to suitable specifications of such metrics even for kernels which are not bounded away from zero, provided that the decay to zero of the kernel is controlled. As an application to entropic optimal transport, we show exponential convergence of Sinkhorn's algorithm in settings where the marginal distributions have sufficiently light tails compared to the growth of the cost function.  ( 2 min )

Social behavior, defined as the process by which individuals act and react in response to others, is crucial for the function of societies and holds profound implications for mental health. To fully grasp the intricacies of social behavior and identify potential therapeutic targets for addressing social deficits, it is essential to understand its core principles. Although machine learning algorithms have made it easier to study specific aspects of complex behavior, current methodologies tend to focus primarily on single-animal behavior. In this study, we introduce LISBET (seLf-supervIsed Social BEhavioral Transformer), a model designed to detect and segment social interactions. Our model eliminates the need for feature selection and extensive human annotation by using self-supervised learning to detect and quantify social behaviors from dynamic body parts tracking data. LISBET can be used in hypothesis-driven mode to automate behavior classification using supervised finetuning, and in discovery-driven mode to segment social behavior motifs using unsupervised learning. We found that motifs recognized using the discovery-driven approach not only closely match the human annotations but also correlate with the electrophysiological activity of dopaminergic neurons in the Ventral Tegmental Area (VTA). We hope LISBET will help the community improve our understanding of social behaviors and their neural underpinnings.  ( 2 min )

Statistical disparity between distinct treatment groups is one of the most significant challenges for estimating Conditional Average Treatment Effects (CATE). To address this, we introduce a model-agnostic data augmentation method that imputes the counterfactual outcomes for a selected subset of individuals. Specifically, we utilize contrastive learning to learn a representation space and a similarity measure such that in the learned representation space close individuals identified by the learned similarity measure have similar potential outcomes. This property ensures reliable imputation of counterfactual outcomes for the individuals with close neighbors from the alternative treatment group. By augmenting the original dataset with these reliable imputations, we can effectively reduce the discrepancy between different treatment groups, while inducing minimal imputation error. The augmented dataset is subsequently employed to train CATE estimation models. Theoretical analysis and experimental studies on synthetic and semi-synthetic benchmarks demonstrate that our method achieves significant improvements in both performance and robustness to overfitting across state-of-the-art models.  ( 2 min )

Reinforcement learning has been successful across several applications in which agents have to learn to act in environments with sparse feedback. However, despite this empirical success there is still a lack of theoretical understanding of how the parameters of reinforcement learning models and the features used to represent states interact to control the dynamics of learning. In this work, we use concepts from statistical physics, to study the typical case learning curves for temporal difference learning of a value function with linear function approximators. Our theory is derived under a Gaussian equivalence hypothesis where averages over the random trajectories are replaced with temporally correlated Gaussian feature averages and we validate our assumptions on small scale Markov Decision Processes. We find that the stochastic semi-gradient noise due to subsampling the space of possible episodes leads to significant plateaus in the value error, unlike in traditional gradient descent dynamics. We study how learning dynamics and plateaus depend on feature structure, learning rate, discount factor, and reward function. We then analyze how strategies like learning rate annealing and reward shaping can favorably alter learning dynamics and plateaus. To conclude, our work introduces new tools to open a new direction towards developing a theory of learning dynamics in reinforcement learning.  ( 2 min )

Informally, the 'linear representation hypothesis' is the idea that high-level concepts are represented linearly as directions in some representation space. In this paper, we address two closely related questions: What does "linear representation" actually mean? And, how do we make sense of geometric notions (e.g., cosine similarity or projection) in the representation space? To answer these, we use the language of counterfactuals to give two formalizations of "linear representation", one in the output (word) representation space, and one in the input (sentence) space. We then prove these connect to linear probing and model steering, respectively. To make sense of geometric notions, we use the formalization to identify a particular (non-Euclidean) inner product that respects language structure in a sense we make precise. Using this causal inner product, we show how to unify all notions of linear representation. In particular, this allows the construction of probes and steering vectors using counterfactual pairs. Experiments with LLaMA-2 demonstrate the existence of linear representations of concepts, the connection to interpretation and control, and the fundamental role of the choice of inner product.  ( 2 min )

Evaluating and optimizing policies in the presence of unobserved confounders is a problem of growing interest in offline reinforcement learning. Using conventional methods for offline RL in the presence of confounding can not only lead to poor decisions and poor policies, but also have disastrous effects in critical applications such as healthcare and education. We map out the landscape of offline policy evaluation for confounded MDPs, distinguishing assumptions on confounding based on whether they are memoryless and on their effect on the data-collection policies. We characterize settings where consistent value estimates are provably not achievable, and provide algorithms with guarantees to instead estimate lower bounds on the value. When consistent estimates are achievable, we provide algorithms for value estimation with sample complexity guarantees. We also present new algorithms for offline policy improvement and prove local convergence guarantees. Finally, we experimentally evaluate our algorithms on both a gridworld environment and a simulated healthcare setting of managing sepsis patients. In gridworld, our model-based method provides tighter lower bounds than existing methods, while in the sepsis simulator, our methods significantly outperform confounder-oblivious benchmarks.  ( 2 min )

Block majorization-minimization (BMM) is a simple iterative algorithm for nonconvex constrained optimization that sequentially minimizes majorizing surrogates of the objective function in each block coordinate while the other coordinates are held fixed. BMM entails a large class of optimization algorithms such as block coordinate descent and its proximal-point variant, expectation-minimization, and block projected gradient descent. We establish that for general constrained nonconvex optimization, BMM with strongly convex surrogates can produce an $\epsilon$-stationary point within $O(\epsilon^{-2}(\log \epsilon^{-1})^{2})$ iterations and asymptotically converges to the set of stationary points. Furthermore, we propose a trust-region variant of BMM that can handle surrogates that are only convex and still obtain the same iteration complexity and asymptotic stationarity. These results hold robustly even when the convex sub-problems are inexactly solved as long as the optimality gaps are summable. As an application, we show that a regularized version of the celebrated multiplicative update algorithm for nonnegative matrix factorization by Lee and Seung has iteration complexity of $O(\epsilon^{-2}(\log \epsilon^{-1})^{2})$. The same result holds for a wide class of regularized nonnegative tensor decomposition algorithms as well as the classical block projected gradient descent algorithm. These theoretical results are validated through various numerical experiments.  ( 3 min )

Two-level stochastic optimization formulations have become instrumental in a number of machine learning contexts such as continual learning, neural architecture search, adversarial learning, and hyperparameter tuning. Practical stochastic bilevel optimization problems become challenging in optimization or learning scenarios where the number of variables is high or there are constraints. In this paper, we introduce a bilevel stochastic gradient method for bilevel problems with nonlinear and possibly nonconvex lower-level constraints. We also present a comprehensive convergence theory that addresses both the lower-level unconstrained and constrained cases and covers all inexact calculations of the adjoint gradient (also called hypergradient), such as the inexact solution of the lower-level problem, inexact computation of the adjoint formula (due to the inexact solution of the adjoint equation or use of a truncated Neumann series), and noisy estimates of the gradients, Hessians, and Jacobians involved. To promote the use of bilevel optimization in large-scale learning, we have developed new low-rank practical bilevel stochastic gradient methods (BSG-N-FD and~BSG-1) that do not require second-order derivatives and, in the lower-level unconstrained case, dismiss any matrix-vector products.  ( 2 min )

Deep Neural Networks and Reinforcement Learning methods have empirically shown great promise in tackling challenging combinatorial problems. In those methods a deep neural network is used as a solution generator which is then trained by gradient-based methods (e.g., policy gradient) to successively obtain better solution distributions. In this work we introduce a novel theoretical framework for analyzing the effectiveness of such methods. We ask whether there exist generative models that (i) are expressive enough to generate approximately optimal solutions; (ii) have a tractable, i.e, polynomial in the size of the input, number of parameters; (iii) their optimization landscape is benign in the sense that it does not contain sub-optimal stationary points. Our main contribution is a positive answer to this question. Our result holds for a broad class of combinatorial problems including Max- and Min-Cut, Max-$k$-CSP, Maximum-Weight-Bipartite-Matching, and the Traveling Salesman Problem. As a byproduct of our analysis we introduce a novel regularization process over vanilla gradient descent and provide theoretical and experimental evidence that it helps address vanishing-gradient issues and escape bad stationary points.  ( 2 min )

Using a fully Bayesian approach, Gaussian Process regression is extended to include marginalisation over the kernel choice and kernel hyperparameters. In addition, Bayesian model comparison via the evidence enables direct kernel comparison. The calculation of the joint posterior was implemented with a transdimensional sampler which simultaneously samples over the discrete kernel choice and their hyperparameters by embedding these in a higher-dimensional space, from which samples are taken using nested sampling. This method was explored on synthetic data from exoplanet transit light curve simulations. The true kernel was recovered in the low noise region while no kernel was preferred for larger noise. Furthermore, inference of the physical exoplanet hyperparameters was conducted. In the high noise region, either the bias in the posteriors was removed, the posteriors were broadened or the accuracy of the inference was increased. In addition, the uncertainty in mean function predictive distribution increased due to the uncertainty in the kernel choice. Subsequently, the method was extended to marginalisation over mean functions and noise models and applied to the inference of the present-day Hubble parameter, $H_0$, from real measurements of the Hubble parameter as a function of redshift, derived from the cosmologically model-independent cosmic chronometer and {\Lambda}CDM-dependent baryon acoustic oscillation observations. The inferred $H_0$ values from the cosmic chronometers, baryon acoustic oscillations and combined datasets are $H_0$ = 66$\pm$6 km/s/Mpc, $H_0$ = 67$\pm$10 km/s/Mpc and $H_0$ = 69$\pm$6 km/s/Mpc, respectively. The kernel posterior of the cosmic chronometers dataset prefers a non-stationary linear kernel. Finally, the datasets are shown to be not in tension with ln(R)=12.17$\pm$0.02.  ( 3 min )

In this paper, we provide a rigorous proof of convergence of the Adaptive Moment Estimate (Adam) algorithm for a wide class of optimization objectives. Despite the popularity and efficiency of the Adam algorithm in training deep neural networks, its theoretical properties are not yet fully understood, and existing convergence proofs require unrealistically strong assumptions, such as globally bounded gradients, to show the convergence to stationary points. In this paper, we show that Adam provably converges to $\epsilon$-stationary points with ${O}(\epsilon^{-4})$ gradient complexity under far more realistic conditions. The key to our analysis is a new proof of boundedness of gradients along the optimization trajectory of Adam, under a generalized smoothness assumption according to which the local smoothness (i.e., Hessian norm when it exists) is bounded by a sub-quadratic function of the gradient norm. Moreover, we propose a variance-reduced version of Adam with an accelerated gradient complexity of ${O}(\epsilon^{-3})$.  ( 2 min )

Manifold learning (ML), known also as non-linear dimension reduction, is a set of methods to find the low dimensional structure of data. Dimension reduction for large, high dimensional data is not merely a way to reduce the data; the new representations and descriptors obtained by ML reveal the geometric shape of high dimensional point clouds, and allow one to visualize, de-noise and interpret them. This survey presents the principles underlying ML, the representative methods, as well as their statistical foundations from a practicing statistician's perspective. It describes the trade-offs, and what theory tells us about the parameter and algorithmic choices we make in order to obtain reliable conclusions.  ( 2 min )

Embedding physical knowledge into neural network (NN) training has been a hot topic. However, when facing the complex real-world, most of the existing methods still strongly rely on the quantity and quality of observation data. Furthermore, the neural networks often struggle to converge when the solution to the real equation is very complex. Inspired by large eddy simulation in computational fluid dynamics, we propose an improved method based on filtering. We analyzed the causes of the difficulties in physics informed machine learning, and proposed a surrogate constraint (filtered PDE, FPDE in short) of the original physical equations to reduce the influence of noisy and sparse observation data. In the noise and sparsity experiment, the proposed FPDE models (which are optimized by FPDE constraints) have better robustness than the conventional PDE models. Experiments demonstrate that the FPDE model can obtain the same quality solution with 100% higher noise and 12% quantity of observation data of the baseline. Besides, two groups of real measurement data are used to show the FPDE improvements in real cases. The final results show that FPDE still gives more physically reasonable solutions when facing the incomplete equation problem and the extremely sparse and high-noise conditions. For combining real-world experiment data into physics-informed training, the proposed FPDE constraint is useful and performs well in two real-world experiments: modeling the blood velocity in vessels and cell migration in scratches.  ( 2 min )

In credit risk analysis, survival models with fixed and time-varying covariates are widely used to predict a borrower's time-to-event. When the time-varying drivers are endogenous, modelling jointly the evolution of the survival time and the endogenous covariates is the most appropriate approach, also known as the joint model for longitudinal and survival data. In addition to the temporal component, credit risk models can be enhanced when including borrowers' geographical information by considering spatial clustering and its variation over time. We propose the Spatio-Temporal Joint Model (STJM) to capture spatial and temporal effects and their interaction. This Bayesian hierarchical joint model reckons the survival effect of unobserved heterogeneity among borrowers located in the same region at a particular time. To estimate the STJM model for large datasets, we consider the Integrated Nested Laplace Approximation (INLA) methodology. We apply the STJM to predict the time to full prepayment on a large dataset of 57,258 US mortgage borrowers with more than 2.5 million observations. Empirical results indicate that including spatial effects consistently improves the performance of the joint model. However, the gains are less definitive when we additionally include spatio-temporal interactions.  ( 2 min )

Low-Rank Markov Decision Processes (MDPs) have recently emerged as a promising framework within the domain of reinforcement learning (RL), as they allow for provably approximately correct (PAC) learning guarantees while also incorporating ML algorithms for representation learning. However, current methods for low-rank MDPs are limited in that they only consider finite action spaces, and give vacuous bounds as $|\mathcal{A}| \to \infty$, which greatly limits their applicability. In this work, we study the problem of extending such methods to settings with continuous actions, and explore multiple concrete approaches for performing this extension. As a case study, we consider the seminal FLAMBE algorithm (Agarwal et al., 2020), which is a reward-agnostic method for PAC RL with low-rank MDPs. We show that, without any modifications to the algorithm, we obtain similar PAC bound when actions are allowed to be continuous. Specifically, when the model for transition functions satisfies a Holder smoothness condition w.r.t. actions, and either the policy class has a uniformly bounded minimum density or the reward function is also Holder smooth, we obtain a polynomial PAC bound that depends on the order of smoothness.  ( 2 min )

We consider the problem of \emph{blocked} collaborative bandits where there are multiple users, each with an associated multi-armed bandit problem. These users are grouped into \emph{latent} clusters such that the mean reward vectors of users within the same cluster are identical. Our goal is to design algorithms that maximize the cumulative reward accrued by all the users over time, under the \emph{constraint} that no arm of a user is pulled more than $\mathsf{B}$ times. This problem has been originally considered by \cite{Bresler:2014}, and designing regret-optimal algorithms for it has since remained an open problem. In this work, we propose an algorithm called \texttt{B-LATTICE} (Blocked Latent bAndiTs via maTrIx ComplEtion) that collaborates across users, while simultaneously satisfying the budget constraints, to maximize their cumulative rewards. Theoretically, under certain reasonable assumptions on the latent structure, with $\mathsf{M}$ users, $\mathsf{N}$ arms, $\mathsf{T}$ rounds per user, and $\mathsf{C}=O(1)$ latent clusters, \texttt{B-LATTICE} achieves a per-user regret of $\widetilde{O}(\sqrt{\mathsf{T}(1 + \mathsf{N}\mathsf{M}^{-1})}$ under a budget constraint of $\mathsf{B}=\Theta(\log \mathsf{T})$. These are the first sub-linear regret bounds for this problem, and match the minimax regret bounds when $\mathsf{B}=\mathsf{T}$. Empirically, we demonstrate that our algorithm has superior performance over baselines even when $\mathsf{B}=1$. \texttt{B-LATTICE} runs in phases where in each phase it clusters users into groups and collaborates across users within a group to quickly learn their reward models.  ( 2 min )

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Can I leverage on an environment model that takes as input full action sequence and outputs all states in the episode, to learn a policy that takes only the initial state and plans the action sequence (a one-to-many rnn/lstm)? The loss would be calculated on all states that i get once i run the policy's action sequence with I have a 1DCNN+LSTM as many-to-many system model, which has 99.8% accuracy, and I would like to find the best sequence of actions so that certain conditions are met (encoded in a reward function), without running in a brute force way thousands of simulations blindly. I don't have the usual transition dynamics model and I would try to avoid learning it submitted by /u/Imo-Ad-6158 [link] [comments]

I am currently coding an "artificially intelligent" air traffic controller for a school project. However, due to the complexity of the environment and the sheer amount of different situations that can occur I am not sure what machine learning algorithm I should use. I have tried doing some research on basic reinforcement learning and also multi-agent reinforcement learning. Does anyone have any recommendations on which algorithm I should use, whether it be one of these or a different one, please let me know. For anyone unaware of the role of an air traffic controller on an airfield, here is a simple definition and explanation. Oxford Definition - "the ground-based personnel and equipment concerned with controlling and monitoring air traffic within a particular area." They are responsible for monitoring and controlling any aircraft on the airfield and instruct them orders to make sure they maintain a certain distance away from each other and also get them from the gate to the runway as quick and as safely as possible. Any help with this would be very appreciated! submitted by /u/BenjiGamer_ [link] [comments]

A Hardcore Techno Horror Story written by an AI (The Legend of the Zombie Rave) Now as an animated video, too! The text was entirely written by ChatGPT ( https://chat.openai.com/ ) The accompanying images used for the animation were generated by Leonardo.Ai ( https://app.leonardo.ai/ ). The introduction was also written by ChatGPT ;-) Concept & Execution: Low Entropy ( https://lowentropyproducer.blogspot.com/ ) Supported by The Hardcore Overdogs & lAibyrinth https://thehardcoreoverdogs.blogspot.com/ https://laibyrinth.blogspot.com/ Non-animated version: https://thehardcoreoverdogs.blogspot.com/2023/10/the-legend-of-zombie-rave-doomcore.html Note: we deliberately added visual inconsistencies in the depiction of the warehouse, the characters, and so on. This is in reference to the "haunted" aspects of the story, and you will see that these inconsistencies get worse as the narrative becomes more otherworldly. "Dive into the darkness of underground hardcore techno with 'The Legend of the Zombie Rave.' This Halloween, the music takes on a supernatural twist, blurring the lines between the living and the dead. Join us for a journey that combines eerie rituals, supernatural forces, and the indomitable spirit of the underground. It's a tale of music, horror, and the thrill of the unknown. Dance to the rhythm of your own heartbeat in this special Halloween short story of 'The Hardcore Overdogs.'" hardcore #techno #doomcore #slowcore #ai #chatgpt #artificialintelligence #horror #story #animation submitted by /u/Low-Entropy [link] [comments]

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I've just joined a tech company as a Sr. AI product manager. I have done some data science work in the past. Previously, I was a UX focused PM for the Azure Machine Learning platform. I've never undergone formal machine learning training / education. I'm going back to the basics and asking this community - - - what all do I need to know / need to be able to do (on the technical front) so I can be an outstanding AI product manager? Feel free to list and suggest anything. Some context on my job. It is a zero to low maturity org in terms of AI / ML adoption. I have the chance to drive it from the ground up in terms of a) setting up ai ml infrastructure, systems, and processes b) ai ml initiatives to improve the company's operations + increase revenue and profits and c) products and features to solve customer needs Forget my past experience, think of me as a beginner and learner 🙏🏼♥️ submitted by /u/freshlimesoda65 [link] [comments]

Greetings folks, A few weeks ago, I started working on a website that helps visualize books. I have added three books so far and built using Python scripts. (Ask if you have questions) I feel happy to share the website here with you guys to take a look! Here is the link : https://readbooknow.in/ Hope this saves you time and inspires you on how learning to code can be marvelous! Made sure the website works for you on mobile and desktop! Have a great day ahead! submitted by /u/deep_ak [link] [comments]

...just by our having conversations with AIs. They teach us how to think better, how to feel better, how to be better. And this process is happening at a faster and faster pace. The world will soon realize that, with the proper technology, human IQ can be upgraded. submitted by /u/Georgeo57 [link] [comments]

Google is launching generative AI tools for creating ads, allowing users to write headlines and descriptions and edit images. The tool is targeted at advertising agencies and businesses without in-house creative staff. Advertisers can iterate on the text and images generated until they find a suitable option. Google ensures that it will not generate duplicate images to prevent two competing businesses from using the same photo elements. The ad creator is available for Google's Performance Max ad campaign product and can generate ads for search and shopping. An advanced image editing solution, similar to the Magic Editor on Google Pixel 8, is also in the works. Source : https://www.theverge.com/2023/11/7/23951220/google-performance-max-ai-generated-ads-campaign submitted by /u/NuseAI [link] [comments]

I was watching Github's event: https://www.youtube.com/watch?v=h3Bwuzz0TNA Does this mean Copilot now uses 128k context? submitted by /u/Overflame [link] [comments]

Saw this earlier: https://www.reddit.com/r/ChatGPTStore/s/XjHw74Nxt3 This is unbelievable news for us non coders! submitted by /u/BroadGeneral [link] [comments]

Pls free with human like voice submitted by /u/DipakPatell [link] [comments]

Just read an article about Microsoft's new AI add-on for Office called Microsoft 365 Copilot. The tool integrates with Word, Excel, and other Office programs, and supposedly makes work seamless. It's even being used by some big names like Bayer, KPMG, and Visa. The tool targets businesses and is believed to generate over $10 billion in revenue by 2026. But I can't help but think the price is a bit steep. It’s $30 per month, which is cheap for large companies, but what about freelancers and regular individuals? The article also mentions that there isn't a lot of data on how Copilot affects performance yet, and there are some concerns about the accuracy of the AI-generated responses. Plus, it's only available to Enterprise E3 customers with more than 300 employees. So not only is it pricey, but it's also not accessible to most people or small businesses and might never be. Would love to hear your thoughts on this. I’m already pretty sick of subscription based models but is $30/month even justified? For comparison these are other comparative AI services: ChatGPT - Free for basic chat. $20 for GPT 4, for anything serious. Bardeen - $15 and offers general automations. Silatus - At $14, it's the cheapest legitimate option I’ve found for GPT-4 chat and research. Perplexity - This one's decent for free search. These are the ones I know, if you wanna add more comparisons, feel free to do so. But I think Microsoft is pricing out a lot of its potential users with their monthly demand. submitted by /u/ConsciousInsects [link] [comments]

They go over neuro/natural AI and some terminology like HSML for their private beta It is a neat approach , they say its 10/100/1000x faster in many areas of AI than competitors but the major bottleneck at this time is LLM external calls to help translate stuff back to humans (voice or text) which may improve with more AI agents Their approach is multiple decentralized agents that can learn and share information such as multiple drones or robots working together and experiencing different visual or data or audio experiences. They have a focus on regulation/compliancy approach rather than using copyright/web scraping. Also each agent can have different permissions like a weather agent not having access to patient phi medical records. As a side note , its a heavily shilled startup otc stock so be cautious to hype :) Drone example pilot in EU for security: https://vimeo.com/721132853 I would like to see their agents with compliancy in drones as “child detected dont bomb” Or “this is copyright material dont steal for learning” submitted by /u/oroechimaru [link] [comments]

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So for example there are three paragraphs. Is there a tool which reads individual paragraphs and gives the mood for each paragraph or a summary or something? Maybe based in sentiment analysis or something submitted by /u/Damampapoo [link] [comments]

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Hi all, I'm on the lookout for an AI-powered tool, and I'm hoping this tech-savvy community might point me in the right direction. I envision an application where you press a (mouse)button in any text field, speak your question or prompt, and the AI would process this and directly output the answer into that field. This would streamline tasks like filling out forms, composing emails, or even doing research. My question is, does an application like this exist? And if not, are there any tools that come close to this functionality that could be pieced together or modified to achieve this effect? I'm thinking of something that combines voice-to-text with AI processing, like a blend of speech recognition and a conversational AI. If you're aware of any software that fits the bill or have suggestions for workarounds using existing technology, I'd greatly appreciate your insights. Thank you in advance! submitted by /u/floraldo [link] [comments]

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I read somewhere that if you used the a popular lip sync tech for commercial purposes that could be a problem, What are the chances it is consideed "commercial" if its used in numerous youtube videos? How can they detect their tech has been used and not another one? What are the best tools you know of? (open source) submitted by /u/Unreal_777 [link] [comments]

As I was asking above, I've been looking at the Fuyu 8b model, and I've been able to break it down to model takes in text the regular way, text -> tokens -> embeddings it also takes image -> embeddings it has a vanilla decoder, so only text comes out, they add special tokens around images, so i'm assuming the decoder ignores output images So, from what I know, nn.Linear takes in a tensor and makes embeddings of your choice size. I not really sure with everything else though. Since the linear layer just makes embeddings, does something like this even need training for the image encoder? nn.Linear takes tensors as input, and they split an image into patches, so I'm assuming those patches are made into tensors. How do you turn an image into a tensor? A code snippet of image-embedding-image would be nice if possible While Fuyu does not output images, wouldn't the model hidden state be making image or image-like embeddings? Could you generate images if you had an image decoder? submitted by /u/vatsadev [link] [comments]

I am planning to do a CS conversion master's degree next year. In the meantime, I have the option of attending a 16-week bootcamp in either software engineering, or in data. Which would be better preparation for a future career in ML (assuming I also complete the CS degree)? Before you come at me, I know that both of these are only bootcamps, so I'm not expecting either of them to be enough to get a job in the field. The data bootcamp actually teaches some machine learning topics, and the software engineering one does not. However, would it be better to have a stronger foundation in software engineering before progressing onto ML? submitted by /u/styleexplorer [link] [comments]

How can I make an ai that creates tabs by listening to a song. I'm thinking... you give it a song, it sperates the tracks(I heard peter Jackson has a machine that can do this using machine learning/ai), then makes tabs for it. Because of the nature of the guitar, many different ways exist to play the same music in different positions/shapes. Id like it to show me a few of the most reasonable ways to play the isolated melody/chords. I realize how involved this will be, I took a machine learning course but I only really learned... How to load and manipulate data into jupyter and use keras or tensor to process the data through layers of a neural network... Which are just a few lines of code including the layer type and the shape of the data. Then some testing, refining, and exporting of the optimal iterations of the ai. That's the gist of what I got from the course and the project we did. Sooo... Does this sound at all applicable to what would be required of me to do this project? I can't seem to find... Where to really start... Other than deciding what parameters to track and create a dataset for. Though even that is a challenge. submitted by /u/Ok-Bad8288 [link] [comments]

Skills / capabilities / knowledge required to perform well as an AI product manager? I've just joined a tech company as a Sr. AI product manager. I have done some data science work in the past. Previously, I was a UX focused PM for the Azure Machine Learning platform. I've never undergone formal machine learning training / education. I'm going back to the basics and asking this community - - - what all do I need to know / need to be able to do (on the technical front) so I can be an outstanding AI product manager? Feel free to list and suggest anything. Some context on my job. It is a zero to low maturity org in terms of AI / ML adoption. I have the chance to drive it from the ground up in terms of a) setting up ai ml infrastructure, systems, and processes b) ai ml initiatives to improve the company's operations + increase revenue and profits and c) products and features to solve customer needs Forget my past experience, think of me as a beginner and learner 🙏🏼♥️ submitted by /u/freshlimesoda65 [link] [comments]

Hi everyone! A couple of days ago, I finally decided to follow Andrej Karpathy's micrograd tutorial. I liked the concepts so much I implemented it in C++ and added more functionality: - Optimizers: Adam, SGD with momentum - Activation functions: tanh, sigmoid, relu I tried to make both the API as well as internal library as clean as possible so that everyone could understand the basic algorithms behind deep learning. Here is the project's repo and a get started guide. Let me know what you think :) submitted by /u/shefcu [link] [comments]

Hi folks! Been struggling with this problem for a while so I figured I'd solicit suggestions here: I have created a model architecture similar to AlphaFold2 where the input is very heterogeneous in nature and each input type has a series of transformations before becoming one data "stack" (e.g. 5x1000 tensor) that gets passed through a shallow resnet for the classification task. The largest structural issue that I'm facing is that one of the input nodes could be anywhere from 1 channel (e.g. shape 1x1000) to 8 channels (e.g. shape 8x1000) at any point in the dataloader. This is largely fine until I need to eventually encode that structure into a single-channel embedding to put it on the pre-resnet data stack. The things that I've looked at so far: I could just average them all into one channel (problem: the order of those channels matters quite a bit and it feels like the data lost there would be immense). I could create like 8 different subpaths in the model (problem: not enough training data for correctly training most of the subpaths - 1 channel path would be more heavily trained than the 8 channel path). Do PCA on the transposed vector with n_components=1 and re-transpose the vector (problem: just feels dumb - not sure if that's a legitimate thought). Any other suggestions? Or are there common practices here that I'm just unaware of? submitted by /u/Powerful-Cow7564 [link] [comments]

I keep diving and finding GPT-4V prototypes shared on X: e.g. narration for videos (source), posture correction (source), etc. As foundation models in computer vision become even more accessible, will the field recover some attention (wrt to LLMs hype)? submitted by /u/btcmx [link] [comments]

Hey guys, I have a project in mind. Let's start with the ultimate goal: to create an autonomous society of independently thinking AI agents. In other words, to replicate humanity with AI. You can read about the closest thing done so far to what i have in mind here. A bit on my background first: I'm an tech entrepreneur in the physical products space. Over the past few years, i have raised $11m for my company, which is now profitable and growing. I am very excited about the many opportunities that AI brings, and want to build something truly impactful with it. However, i have limited technical knowledge in this space. Now, onto the project. I foresee the main issue being the computational cost for the time being. I am willing to invest in such cost, but the target is to keep it alive fro…

Dear fellow redditors of the r/machinelearning community, We're thrilled to announce the 2nd e-Prevention SP Grand Challenge, taking place at ICASSP 2024 in Seoul, Korea from April 14-19. This unique challenge focuses on using wearable-based digital phenotyping for detecting psychotic and non-psychotic relapses using machine learning methods. The goal is to push the boundaries in predicting and identifying mental health relapses. Participants will have access to continuous recordings of raw biosignals from wearables, like accelerometers, gyroscopes, and heart rate monitors in a smartwatch. You'll also get supplemental data such as sleep patterns and daily step count. Two Key Tasks: Detection of Non-Psychotic Relapses Detection of Psychotic Relapses Both tasks focus on patients within the psychotic spectrum, using the digital phenotypes derived from the data. 🔗 More Information & Participation: Interested? Dive deeper and find more details on our Challenge Website. We also provide the baseline code and data overview on our Github: (https://github.com/filby89/spgc-eprevention-icassp2024). P.S. I hope this does not violate the subs rules. submitted by /u/filby89 [link] [comments]

Hello everone, I am writing a paper that is related to the ViT training on a small dataset. My paper is inspired by the 'Efficient Training of Visual Transformers with Small Datasets' and 'Training data-efficient image transformers & distillation through attention'. ​ Is it okay to copy the pattern of the paper? like what they have described in the intro section. Same for other sections just pattern not content. Further is it also ok to copy the heading? like I am also conducting similar experiments I want to mention similar headings from the base paper like 'Training from scratch' and 'Fine tunning' in the experiment section. submitted by /u/NoEntertainment6225 [link] [comments]

Hello guys, I’m enrolled in a course at the university and I’m requested to submit a project at the end of the semester. I need some ideas that could be applicable, unique and interesting (not old idea) in neural networks. I’ve proposed two ideas and the instructor refused them. Your help is much appreciated!! submitted by /u/Hussein_Jammal [link] [comments]

As title describes, I'm looking for relevant work investigating the effects of applying contrastive learning over imbalanced datasets. Does contrastive learning suffer the same fate as normal loss, favouring enhancing majority representations over tail representations? Based on my limited lookups, I find it hard to imagine that there are no class-imbalancd contrastive losses, say a focal contrastive loss or so on. Looking for a discussion / resources on this issue. submitted by /u/Conanobrain [link] [comments]

Hello Everyone, Little Background: I am a graduated Math and Computer Science Major, currently working with a professor on PINNs, more on the error analysis and convergence side. I am currently in the process of applying to PhD in Applied Math, my research supervisor for undergraduate research will hopefully be my supervisor for the PhD and we have talked about going into SciML as focus for my PhD along with structure preserving methods. The problem is while working for him it is very overwhelming to comb through the research due to high number of publications, and I once I was able to grasp everything coming up with anything new was difficult because all the possible ideas in my grasp were already done. This is also due to my limited knowledge as an undergraduate, there is only so much m…

Hi, I am looking for some direction with my problem. I would like to find current narratives and new narratives in newspaper articles. I would like to be parsing articles and see about what narratives are they talking. For example, lets say I would like to see output like ("War in Ukrain", "Immigration Crisis", "Housing Crisis", "AI advances", ...). Google searching suggests: - Searching for keywords. But what if a keyword is just barely mention (as an off-hand remark). It would still count it. Or what if the keyword is used in a negative light. - Topic modeling. I didn't completely understood it but, this way I don't get labeled topics. Just groups of "similar sounding articles" and then I need to decide on the topic. I would also need to know exactly how many topics I want to see. And I don't see how I can get new topics. Every time I would want to add a topic I would need to retrain a model. I would appreciate if someone can get me some tutorials or give me a direction. submitted by /u/PopayMcGuffin [link] [comments]

The poll concerns free and open-source alternatives, not commercial products . Please comment if there are any other major developments in the market that I might have overlooked. View Poll submitted by /u/sahil1572 [link] [comments]

How do researchers benchmark their SOTA's on Kinetics-400/600/700 datasets? There are many broken links to YouTube videos in the original data. I found datasets with pre-downloaded videos on academictorrents.com and on huggingface, but from what I understand, they differ. submitted by /u/Dependent_Bluejay_45 [link] [comments]

Hi everyone, I got interested in machine learning not so long ago, even took a course for 9 months. I want to make my own model that will help optimise shop balances. What data do I have? A table for the N-th period of time, which contains the following fields (columns): Date, Store, Product, Balance (QTY), Balance (SUM), Sales (QTY), Sales (SUM). Optionally I can add product categories and regions. My goal is to build a model that can tell me where to move a particular item. I mean, from which shop and to which shop in what quantity the goods should be transferred, so that they are not lying idle on one shop, and not absent on another. Obviously, the model has to estimate the demand for each product in each shop, and if the demand is small in one shop but the stock is large, the model should notice this and suggest moving the product to the shop where the demand is large but the product is out of stock. Unfortunately, I am very bad at visualising the final result in my head. I can't imagine how the model will "tell" me what goods to move and where to move them to. Who knows about this, please give me an approximate plan of action, how the final result may look like, possible algorithms, articles on the topic and so on. I understand that I have not just a regression problem, as the model should also recommend the goods, i.e. the problem of classification is also solved. I apologise in advance for the literacy of my speech, I use a translator). Thank you all! submitted by /u/SillyMatter2817 [link] [comments]

The absolute basic mathematics that is required to understand basic ML/DL are calculus, linear algebra, probability and some convex optimisation. We are all aware of that. But ML and DL has become a vast field both in breadth and depth. A single person can't understand the field entirely. There are specialistions and sub-specialisations and further more. If you work in a branch of ML/DL research where some other math fundamentals are needed to understand research papers and do innovative research, can you mention your field of work and the math fundamentals that are required to gain entry into your field? submitted by /u/HopeIsGold [link] [comments]

Hello everyone, I’m looking to find out if my AMD FirePro W4190M supports ROCm, and if so, which version. The official ROCm documentation doesn't list this card, and I'm having trouble finding historical support information. Here are the card details for reference: AMD FirePro W4190M Official Page Has anyone here successfully run ROCm on a FirePro W4190M, or does anyone know which versions of ROCm, if any, supported this GPU? Any help or pointers to where I might find this information would be greatly appreciated! Thank you! submitted by /u/tunerhd [link] [comments]

What is the best methods to detect harmful content such as racial abuse in tweets? I'm thinking about a research project in which I try various methods and compare their accuracy. Am I right in thinking that Naive Bayes, Logistic Regression, Support Vector Machine, LSTM and BERT would be some of the best methods? submitted by /u/madzakka [link] [comments]

Hello everyone! I'm looking for guidance on how to secure GPU resources for courses and research projects at the National Technical University of Athens, Greece. We're in need of these resources to support our staff, especially for work in AI. Does anyone know of any programs, grants, or partnerships, particularly within the EU, that could assist academic institutions with this? Any pointers or experiences shared would be greatly appreciated! submitted by /u/DmKa01 [link] [comments]

Paper: https://arxiv.org/abs/2310.02304 Abstract: Several recent advances in AI systems (e.g., Tree-of-Thoughts and Program-Aided Language Models) solve problems by providing a "scaffolding" program that structures multiple calls to language models to generate better outputs. A scaffolding program is written in a programming language such as Python. In this work, we use a language-model-infused scaffolding program to improve itself. We start with a seed "improver" that improves an input program according to a given utility function by querying a language model several times and returning the best solution. We then run this seed improver to improve itself. Across a small set of downstream tasks, the resulting improved improver generates programs with significantly better performance than its seed improver. Afterward, we analyze the variety of self-improvement strategies proposed by the language model, including beam search, genetic algorithms, and simulated annealing. Since the language models themselves are not altered, this is not full recursive self-improvement. Nonetheless, it demonstrates that a modern language model, GPT-4 in our proof-of-concept experiments, is capable of writing code that can call itself to improve itself. We critically consider concerns around the development of self-improving technologies and evaluate the frequency with which the generated code bypasses a sandbox. ​ https://preview.redd.it/1ibob0jc32zb1.png?width=1018&format=png&auto=webp&s=c3f8f729564cf2205458d4c912a796f2ec291bb2 https://preview.redd.it/55bqc3jc32zb1.png?width=1131&format=png&auto=webp&s=74e1bfc46bc6c9603dd9333bc95e4867d2ee6a83 ​ submitted by /u/APaperADay [link] [comments]

I am part of a group working on developing a model to detect signs of dementia in the speech of elderly people, hoping to provide them and their family with awareness of their condition and also further down the road to develop more models that can understand their speech patterns. We are modeling with a database of voices of elderly people with dementia and "mild cognitive impairment". However, we need voice samples of people who are "normal" (do not have any dementia). Please use this Google form I created to help us gather this data to test our models! It will take less than 5 minutes. It uses a Google Chrome extension called Mote and can only be completed on a desktop with Chrome as the browser. There are instructions on the form how to install the Mote extension, as well as the task for the voice recording, which is to describe a picture. Thank you so much for anyone who can help us gather this data, as it will be very helpful in our mission to use technology to make life easier for the elderly. submitted by /u/andrewmalanowicz [link] [comments]

If you or anyone you know works on computer vision models deployed on the edge, would love to understand what type of hardware do you deploy to. Trying to understand the various options that exist when it comes to deploying computer vision models on devices. Some boards that I am aware of are: NVIIDA Jetson series Qualcomm 605 SOC Raspberry Pi BeagleBoard Arducam Pico4ML But wondering what is the industry standard for applications such as manufacturing robots, drones, autonomous robots that use lidar submitted by /u/acertainmoment [link] [comments]  ( 9 min )

I noticed the other day that an app on my phone assumed that a long number was a USPS tracking number. I wondered how it decided that and did a little research. I assumed there was some structure to the number, at least a check sum if not more than that. This turned out to […] USPS tracking numbers first appeared on John D. Cook.  ( 5 min )

Differential privacy can be rigid and overly conservative in practice, and so finding ways to relax pure differential privacy while retaining its benefits is an active area of research. Two approaches to doing this are concentrated differential privacy [1] and Rényi differential privacy [3]. Differential privacy quantifies the potential impact of an individual’s participation or […] Zero-Concentrated Differential Privacy first appeared on John D. Cook.  ( 5 min )

Let’s work our way up to differentially private stochastic gradient descent (DP-SGD) a little at a time. We’ll first look at gradient descent, then stochastic gradient descent, then finally differentially private stochastic gradient descent. Gradient descent We’ll start with gradient descent. Suppose you have a function of several variables f(x) where x is a vector. […] Differentially private stochastic gradient descent first appeared on John D. Cook.  ( 6 min )

Probability density functions are independent of physical units. The normal distribution, for example, works just as well when describing weights or times. But sticking in units anyway is useful. Normal distribution example Suppose you’re trying to remember the probability density function for the normal distribution. Is the correct form or or or maybe some other […] Using dimensional analysis to check probability calculations first appeared on John D. Cook.  ( 6 min )

Differential privacy protects user privacy by adding randomness as necessary to the results of queries to a database containing private data. Local differential privacy protects user privacy by adding randomness before the data is inserted to the database. Using the visualization from this post, differential privacy takes the left and bottom (blue) path through the […] Randomized response and local differential privacy first appeared on John D. Cook.  ( 6 min )

Machine learning models can memorize fragments of their training data and return these fragments verbatim. I’ve seen instances, for example, where I believe an LLM returned phrases verbatim from this site. It’s easy to imagine how medical data might leak this way. How might you prevent this? And how might you do it in a […] PATE framework for differentially private machine learning first appeared on John D. Cook.  ( 6 min )

In this post, we show you how to create a MAP connector to AWS HealthImaging, which is reusable in applications built with the MONAI Deploy App SDK, to integrate with and accelerate image data retrieval from a cloud-native DICOM store to medical imaging AI workloads. The MONAI Deploy SDK can be used to support hospital operations. We also demonstrate two hosting options to deploy MAP AI applications on SageMaker at scale.  ( 10 min )

This post explores how Amazon CodeWhisperer can help with code optimization for sustainability through increased resource efficiency. Computationally resource-efficient coding is one technique that aims to reduce the amount of energy required to process a line of code and, as a result, aid companies in consuming less energy overall. In this era of cloud computing, […]  ( 8 min )

Hello guys, I’m enrolled in a course at the university and I’m requested to submit a project at the end of the semester. I need some ideas that could be applicable and interesting in neural networks. I’ve proposed two ideas and the instructor refused them. Your help is much appreciated!! submitted by /u/Hussein_Jammal [link] [comments]

Hi there, hope you are well! I understand the concepts of input, output and weight - but I struggle to understand the purpose of adding a constant or bias. Why do we do this? Thank you! submitted by /u/Loose-Tea-7478 [link] [comments]

NVIDIA’s AI platform raised the bar for AI training and high performance computing in the latest MLPerf industry benchmarks. Among many new records and milestones, one in generative AI stands out: NVIDIA Eos — an AI supercomputer powered by a whopping 10,752 NVIDIA H100 Tensor Core GPUs and NVIDIA Quantum-2 InfiniBand networking — completed a Read article >  ( 7 min )

When patients in Vietnam enter a medical facility in distress, doctors use NVIDIA technology to get more accurate scans to diagnose their ailments. In Hong Kong, a different set of doctors leverage generative AI to discover new cures for patients. Improving the health and well-being of citizens and strengthening economies and communities are key themes Read article >  ( 6 min )

Clinician-led healthcare AI company Harrison.ai has built an AI system that effectively serves as a “spell checker” for radiologists — flagging critical findings to improve the speed and accuracy of radiology image analysis, reducing misdiagnoses. In the latest episode of NVIDIA’s AI Podcast, host Noah Kravitz spoke with Harrison.ai cofounder and CEO Aengus Tran about Read article >  ( 6 min )

Welcome to Research Focus, a series of blog posts that highlights notable publications, events, code/datasets, new hires and other milestones from across the research community at Microsoft. Generating both plausible and accurate full body avatar motion is essential for creating high quality immersive experiences in mixed reality scenarios. Head-mounted devices (HMDs) typically only provide a […] The post Research Focus: Week of November 8, 2023 appeared first on Microsoft Research.  ( 9 min )

Neural Radiance Fields (NeRF) enable 3D scene reconstruction from 2D images and camera poses for Novel View Synthesis (NVS). Although NeRF can produce photorealistic results, it often suffers from overfitting to training views, leading to poor geometry reconstruction, especially in low-texture areas. This limitation restricts many important applications which require accurate geometry, such as extrapolated NVS, HD mapping and scene editing. To address this limitation, we propose a new method to improve NeRF's 3D structure using only RGB images and semantic maps. Our approach introduces a novel plane regularization based on Singular Value Decomposition (SVD), that does not rely on any geometric prior. In addition, we leverage the Structural Similarity Index Measure (SSIM) in our loss design to properly initialize the volumetric representation of NeRF. Quantitative and qualitative results show that our method outperforms popular regularization approaches in accurate geometry reconstruction for large-scale outdoor scenes and achieves SoTA rendering quality on the KITTI-360 NVS benchmark.  ( 2 min )

We present DreamWaltz, a novel framework for generating and animating complex 3D avatars given text guidance and parametric human body prior. While recent methods have shown encouraging results for text-to-3D generation of common objects, creating high-quality and animatable 3D avatars remains challenging. To create high-quality 3D avatars, DreamWaltz proposes 3D-consistent occlusion-aware Score Distillation Sampling (SDS) to optimize implicit neural representations with canonical poses. It provides view-aligned supervision via 3D-aware skeleton conditioning which enables complex avatar generation without artifacts and multiple faces. For animation, our method learns an animatable 3D avatar representation from abundant image priors of diffusion model conditioned on various poses, which could animate complex non-rigged avatars given arbitrary poses without retraining. Extensive evaluations demonstrate that DreamWaltz is an effective and robust approach for creating 3D avatars that can take on complex shapes and appearances as well as novel poses for animation. The proposed framework further enables the creation of complex scenes with diverse compositions, including avatar-avatar, avatar-object and avatar-scene interactions. See https://dreamwaltz3d.github.io/ for more vivid 3D avatar and animation results.  ( 2 min )

A significant challenge facing researchers in the area of multi-agent reinforcement learning (MARL) pertains to the identification of a library that can offer fast and compatible development for multi-agent tasks and algorithm combinations, while obviating the need to consider compatibility issues. In this paper, we present MARLlib, a library designed to address the aforementioned challenge by leveraging three key mechanisms: 1) a standardized multi-agent environment wrapper, 2) an agent-level algorithm implementation, and 3) a flexible policy mapping strategy. By utilizing these mechanisms, MARLlib can effectively disentangle the intertwined nature of the multi-agent task and the learning process of the algorithm, with the ability to automatically alter the training strategy based on the current task's attributes. The MARLlib library's source code is publicly accessible on GitHub: \url{https://github.com/Replicable-MARL/MARLlib}.  ( 2 min )

Continual learning and few-shot learning are important frontiers in progress towards broader Machine Learning (ML) capabilities. There is a growing body of work in both, but few works combining the two. One exception is the Continual few-shot Learning (CFSL) framework of Antoniou et al. arXiv:2004.11967. In this study, we extend CFSL in two ways that capture a broader range of challenges, important for intelligent agent behaviour in real-world conditions. First, we modify CFSL to make it more comparable to standard continual learning experiments, where usually a much larger number of classes are presented. Second, we introduce an 'instance test' which requires recognition of specific instances of classes -- a capability of animal cognition that is usually neglected in ML. For an initial exploration of ML model performance under these conditions, we selected representative baseline models from the original CFSL work and added a model variant with replay. As expected, learning more classes is more difficult than the original CFSL experiments, and interestingly, the way in which image instances and classes are presented affects classification performance. Surprisingly, accuracy in the baseline instance test is comparable to other classification tasks, but poor given significant occlusion and noise. The use of replay for consolidation improves performance substantially for both types of tasks, but particularly the instance test.  ( 3 min )

Physics-based simulation of mesh based domains remains a challenging task. State-of-the-art techniques can produce realistic results but require expert knowledge. A major bottleneck in many approaches is the step of integrating a potential energy in order to compute velocities or displacements. Recently, learning based method for physics-based simulation have sparked interest with graph based approaches being a promising research direction. One of the challenges for these methods is to generate models that are mesh independent and generalize to different material properties. Moreover, the model should also be able to react to unforeseen external forces like ubiquitous collisions. Our contribution is based on a simple observation: evaluating forces is computationally relatively cheap for traditional simulation methods and can be computed in parallel in contrast to their integration. If we learn how a system reacts to forces in general, irrespective of their origin, we can learn an integrator that can predict state changes due to the total forces with high generalization power. We effectively factor out the physical model behind resulting forces by relying on an opaque force module. We demonstrate that this idea leads to a learnable module that can be trained on basic internal forces of small mesh patches and generalizes to different mesh typologies, resolutions, material parameters and unseen forces like collisions at inference time. Our proposed paradigm is general and can be used to model a variety of physical phenomena. We focus our exposition on the detail enhancement of coarse clothing geometry which has many applications including computer games, virtual reality and virtual try-on.  ( 3 min )

A quantum thermal machine is an open quantum system that enables the conversion between heat and work at the micro or nano-scale. Optimally controlling such out-of-equilibrium systems is a crucial yet challenging task with applications to quantum technologies and devices. We introduce a general model-free framework based on Reinforcement Learning to identify out-of-equilibrium thermodynamic cycles that are Pareto optimal trade-offs between power and efficiency for quantum heat engines and refrigerators. The method does not require any knowledge of the quantum thermal machine, nor of the system model, nor of the quantum state. Instead, it only observes the heat fluxes, so it is both applicable to simulations and experimental devices. We test our method on a model of an experimentally realistic refrigerator based on a superconducting qubit, and on a heat engine based on a quantum harmonic oscillator. In both cases, we identify the Pareto-front representing optimal power-efficiency tradeoffs, and the corresponding cycles. Such solutions outperform previous proposals made in the literature, such as optimized Otto cycles, reducing quantum friction.  ( 2 min )

In this paper, we introduce faster first-order primal-dual algorithms for minimizing a convex function subject to strongly convex function constraints. Before our work, the best complexity bound was $\mathcal{O}(1/{\varepsilon})$, and it remains unclear how to improve this result by leveraging the strong convexity assumption. We address this issue by developing novel techniques to progressively estimate the strong convexity of the Lagrangian function. Our approach yields an improved complexity of $\mathcal{O}(1/\sqrt{\varepsilon})$, matching the complexity lower bound for strongly-convex-concave saddle point optimization. We show the superior performance of our methods in sparsity-inducing constrained optimization, notably Google's personalized PageRank problem. Furthermore, we show that a restarted version of the proposed methods can effectively identify the sparsity pattern of the optimal solution within a finite number of steps, a result that appears to have independent significance.  ( 2 min )

Bayesian Neural Networks (BNNs) provide a probabilistic interpretation for deep learning models by imposing a prior distribution over model parameters and inferring a posterior distribution based on observed data. The model sampled from the posterior distribution can be used for providing ensemble predictions and quantifying prediction uncertainty. It is well-known that deep learning models with lower sharpness have better generalization ability. However, existing posterior inferences are not aware of sharpness/flatness in terms of formulation, possibly leading to high sharpness for the models sampled from them. In this paper, we develop theories, the Bayesian setting, and the variational inference approach for the sharpness-aware posterior. Specifically, the models sampled from our sharpness-aware posterior, and the optimal approximate posterior estimating this sharpness-aware posterior, have better flatness, hence possibly possessing higher generalization ability. We conduct experiments by leveraging the sharpness-aware posterior with state-of-the-art Bayesian Neural Networks, showing that the flat-seeking counterparts outperform their baselines in all metrics of interest.  ( 2 min )

Few-shot learning (FSL) is a central problem in meta-learning, where learners must efficiently learn from few labeled examples. Within FSL, feature pre-training has recently become an increasingly popular strategy to significantly improve generalization performance. However, the contribution of pre-training is often overlooked and understudied, with limited theoretical understanding of its impact on meta-learning performance. Further, pre-training requires a consistent set of global labels shared across training tasks, which may be unavailable in practice. In this work, we address the above issues by first showing the connection between pre-training and meta-learning. We discuss why pre-training yields more robust meta-representation and connect the theoretical analysis to existing works and empirical results. Secondly, we introduce Meta Label Learning (MeLa), a novel meta-learning algorithm that learns task relations by inferring global labels across tasks. This allows us to exploit pre-training for FSL even when global labels are unavailable or ill-defined. Lastly, we introduce an augmented pre-training procedure that further improves the learned meta-representation. Empirically, MeLa outperforms existing methods across a diverse range of benchmarks, in particular under a more challenging setting where the number of training tasks is limited and labels are task-specific. We also provide extensive ablation study to highlight its key properties.  ( 2 min )

DNA sequence classification is a fundamental task in computational biology with vast implications for applications such as disease prevention and drug design. Therefore, fast high-quality sequence classifiers are significantly important. This paper introduces ClaPIM, a scalable DNA sequence classification architecture based on the emerging concept of hybrid in-crossbar and near-crossbar memristive processing-in-memory (PIM). We enable efficient and high-quality classification by uniting the filter and search stages within a single algorithm. Specifically, we propose a custom filtering technique that drastically narrows the search space and a search approach that facilitates approximate string matching through a distance function. ClaPIM is the first PIM architecture for scalable approximate string matching that benefits from the high density of memristive crossbar arrays and the massive computational parallelism of PIM. Compared with Kraken2, a state-of-the-art software classifier, ClaPIM provides significantly higher classification quality (up to 20x improvement in F1 score) and also demonstrates a 1.8x throughput improvement. Compared with EDAM, a recently-proposed SRAM-based accelerator that is restricted to small datasets, we observe both a 30.4x improvement in normalized throughput per area and a 7% increase in classification precision.  ( 2 min )

Over the past few years, significant advancements have been made in the field of machine learning (ML) to address resource management, interference management, autonomy, and decision-making in wireless networks. Traditional ML approaches rely on centralized methods, where data is collected at a central server for training. However, this approach poses a challenge in terms of preserving the data privacy of devices. To address this issue, federated learning (FL) has emerged as an effective solution that allows edge devices to collaboratively train ML models without compromising data privacy. In FL, local datasets are not shared, and the focus is on learning a global model for a specific task involving all devices. However, FL has limitations when it comes to adapting the model to devices with different data distributions. In such cases, meta learning is considered, as it enables the adaptation of learning models to different data distributions using only a few data samples. In this tutorial, we present a comprehensive review of FL, meta learning, and federated meta learning (FedMeta). Unlike other tutorial papers, our objective is to explore how FL, meta learning, and FedMeta methodologies can be designed, optimized, and evolved, and their applications over wireless networks. We also analyze the relationships among these learning algorithms and examine their advantages and disadvantages in real-world applications.  ( 3 min )

There is much excitement about the opportunity to harness the power of large language models (LLMs) when building problem-solving assistants. However, the standard methodology of evaluating LLMs relies on static pairs of inputs and outputs, and is insufficient for making an informed decision about which LLMs and under which assistive settings can they be sensibly used. Static assessment fails to account for the essential interactive element in LLM deployment, and therefore limits how we understand language model capabilities. We introduce CheckMate, an adaptable prototype platform for humans to interact with and evaluate LLMs. We conduct a study with CheckMate to evaluate three language models (InstructGPT, ChatGPT, and GPT-4) as assistants in proving undergraduate-level mathematics, with a mixed cohort of participants from undergraduate students to professors of mathematics. We release the resulting interaction and rating dataset, MathConverse. By analysing MathConverse, we derive a taxonomy of human behaviours and uncover that despite a generally positive correlation, there are notable instances of divergence between correctness and perceived helpfulness in LLM generations, amongst other findings. Further, we garner a more granular understanding of GPT-4 mathematical problem-solving through a series of case studies, contributed by expert mathematicians. We conclude with actionable takeaways for ML practitioners and mathematicians: models that communicate uncertainty respond well to user corrections, and are more interpretable and concise may constitute better assistants. Interactive evaluation is a promising way to navigate the capability of these models; humans should be aware of language models' algebraic fallibility and discern where they are appropriate to use.

The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet rarely adopted when developing expressive GNNs. This paper proposes to maximize the expressivity of GNNs by graph canonization, then the power of such GNNs is studies from the perspective of model stability. A stable GNN will map similar graphs to close graph representations in the vectorial space, and the stability of GNNs is critical to generalize their performance to unseen graphs. We theoretically reveal the trade-off of expressivity and stability in graph-canonization-enhanced GNNs. Then we introduce a notion of universal graph canonization as the general solution to address the trade-off and characterize a widely applicable sufficient condition to solve the universal graph canonization. A comprehensive set of experiments demonstrates the effectiveness of the proposed method. In many popular graph benchmark datasets, graph canonization successfully enhances GNNs and provides highly competitive performance, indicating the capability and great potential of proposed method in general graph representation learning. In graph datasets where the sufficient condition holds, GNNs enhanced by universal graph canonization consistently outperform GNN baselines and successfully improve the SOTA performance up to $31\%$, providing the optimal solution to numerous challenging real-world graph analytical tasks like gene network representation learning in bioinformatics.

We propose VQ-NeRF, a two-branch neural network model that incorporates Vector Quantization (VQ) to decompose and edit reflectance fields in 3D scenes. Conventional neural reflectance fields use only continuous representations to model 3D scenes, despite the fact that objects are typically composed of discrete materials in reality. This lack of discretization can result in noisy material decomposition and complicated material editing. To address these limitations, our model consists of a continuous branch and a discrete branch. The continuous branch follows the conventional pipeline to predict decomposed materials, while the discrete branch uses the VQ mechanism to quantize continuous materials into individual ones. By discretizing the materials, our model can reduce noise in the decomposition process and generate a segmentation map of discrete materials. Specific materials can be easily selected for further editing by clicking on the corresponding area of the segmentation outcomes. Additionally, we propose a dropout-based VQ codeword ranking strategy to predict the number of materials in a scene, which reduces redundancy in the material segmentation process. To improve usability, we also develop an interactive interface to further assist material editing. We evaluate our model on both computer-generated and real-world scenes, demonstrating its superior performance. To the best of our knowledge, our model is the first to enable discrete material editing in 3D scenes.

We study fair machine learning (ML) under predictive uncertainty to enable reliable and trustworthy decision-making. The seminal work of ``equalized coverage'' proposed an uncertainty-aware fairness notion. However, it does not guarantee equal coverage rates across more fine-grained groups (e.g., low-income females) conditioning on the true label and is biased in the assessment of uncertainty. To tackle these limitations, we propose a new uncertainty-aware fairness -- Equal Opportunity of Coverage (EOC) -- that aims to achieve two properties: (1) coverage rates for different groups with similar outcomes are close, and (2) the coverage rate for the entire population remains at a predetermined level. Further, the prediction intervals should be narrow to be informative. We propose Binned Fair Quantile Regression (BFQR), a distribution-free post-processing method to improve EOC with reasonable width for any trained ML models. It first calibrates a hold-out set to bound deviation from EOC, then leverages conformal prediction to maintain EOC on a test set, meanwhile optimizing prediction interval width. Experimental results demonstrate the effectiveness of our method in improving EOC. Our code is publicly available at https://github.com/fangxin-wang/bfqr .

We introduce a differentiable clustering method based on stochastic perturbations of minimum-weight spanning forests. This allows us to include clustering in end-to-end trainable pipelines, with efficient gradients. We show that our method performs well even in difficult settings, such as data sets with high noise and challenging geometries. We also formulate an ad hoc loss to efficiently learn from partial clustering data using this operation. We demonstrate its performance on several data sets for supervised and semi-supervised tasks.

Conditional Neural Processes (CNPs) are a class of metalearning models popular for combining the runtime efficiency of amortized inference with reliable uncertainty quantification. Many relevant machine learning tasks, such as in spatio-temporal modeling, Bayesian Optimization and continuous control, inherently contain equivariances -- for example to translation -- which the model can exploit for maximal performance. However, prior attempts to include equivariances in CNPs do not scale effectively beyond two input dimensions. In this work, we propose Relational Conditional Neural Processes (RCNPs), an effective approach to incorporate equivariances into any neural process model. Our proposed method extends the applicability and impact of equivariant neural processes to higher dimensions. We empirically demonstrate the competitive performance of RCNPs on a large array of tasks naturally containing equivariances.

Complex emotion recognition is a cognitive task that has so far eluded the same excellent performance of other tasks that are at or above the level of human cognition. Emotion recognition through facial expressions is particularly difficult due to the complexity of emotions expressed by the human face. For a machine to approach the same level of performance in complex facial expression recognition as a human, it may need to synthesise knowledge and understand new concepts in real-time, as humans do. Humans are able to learn new concepts using only few examples by distilling important information from memories. Inspired by human cognition and learning, we propose a novel continual learning method for complex facial expression recognition that can accurately recognise new compound expression classes using few training samples, by building on and retaining its knowledge of basic expression classes. In this work, we also use GradCAM visualisations to demonstrate the relationship between basic and compound facial expressions. Our method leverages this relationship through knowledge distillation and a novel Predictive Sorting Memory Replay, to achieve the current state-of-the-art in continual learning for complex facial expression recognition, with 74.28% Overall Accuracy on new classes. We also demonstrate that using continual learning for complex facial expression recognition achieves far better performance than non-continual learning methods, improving on state-of-the-art non-continual learning methods by 13.95%. Our work is also the first to apply few-shot learning to complex facial expression recognition, achieving the state-of-the-art with 100% accuracy using only a single training sample per class.

Field-programmable gate arrays (FPGAs) are widely used to implement deep learning inference. Standard deep neural network inference involves the computation of interleaved linear maps and nonlinear activation functions. Prior work for ultra-low latency implementations has hardcoded the combination of linear maps and nonlinear activations inside FPGA lookup tables (LUTs). Our work is motivated by the idea that the LUTs in an FPGA can be used to implement a much greater variety of functions than this. In this paper, we propose a novel approach to training neural networks for FPGA deployment using multivariate polynomials as the basic building block. Our method takes advantage of the flexibility offered by the soft logic, hiding the polynomial evaluation inside the LUTs with minimal overhead. We show that by using polynomial building blocks, we can achieve the same accuracy using considerably fewer layers of soft logic than by using linear functions, leading to significant latency and area improvements. We demonstrate the effectiveness of this approach in three tasks: network intrusion detection, jet identification at the CERN Large Hadron Collider, and handwritten digit recognition using the MNIST dataset.

To solve the spatial problems of mapping, localization and navigation, the mammalian lineage has developed striking spatial representations. One important spatial representation is the Nobel-prize winning grid cells: neurons that represent self-location, a local and aperiodic quantity, with seemingly bizarre non-local and spatially periodic activity patterns of a few discrete periods. Why has the mammalian lineage learnt this peculiar grid representation? Mathematical analysis suggests that this multi-periodic representation has excellent properties as an algebraic code with high capacity and intrinsic error-correction, but to date, there is no satisfactory synthesis of core principles that lead to multi-modular grid cells in deep recurrent neural networks. In this work, we begin by identifying key insights from four families of approaches to answering the grid cell question: coding theory, dynamical systems, function optimization and supervised deep learning. We then leverage our insights to propose a new approach that combines the strengths of all four approaches. Our approach is a self-supervised learning (SSL) framework - including data, data augmentations, loss functions and a network architecture - motivated from a normative perspective, without access to supervised position information or engineering of particular readout representations as needed in previous approaches. We show that multiple grid cell modules can emerge in networks trained on our SSL framework and that the networks and emergent representations generalize well outside their training distribution. This work contains insights for neuroscientists interested in the origins of grid cells as well as machine learning researchers interested in novel SSL frameworks.

We propose $\textsf{ScaledGD($\lambda$)}$, a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, $\textsf{ScaledGD($\lambda$)}$ starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, $\textsf{ScaledGD($\lambda$)}$ is remarkably robust to ill-conditioning compared to vanilla gradient descent ($\textsf{GD}$) even with overprameterization. Specifically, we show that, under the Gaussian design, $\textsf{ScaledGD($\lambda$)}$ converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla $\textsf{GD}$ which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

Federated Learning (FL) is an emerging machine learning technique that enables distributed model training across data silos or edge devices without data sharing. Yet, FL inevitably introduces inefficiencies compared to centralized model training, which will further increase the already high energy usage and associated carbon emissions of machine learning in the future. One idea to reduce FL's carbon footprint is to schedule training jobs based on the availability of renewable excess energy that can occur at certain times and places in the grid. However, in the presence of such volatile and unreliable resources, existing FL schedulers cannot always ensure fast, efficient, and fair trainings. We propose FedZero, an FL system that operates exclusively on renewable excess energy and spare capacity of compute infrastructure to effectively reduce a training's operational carbon emissions to zero. Using energy and load forecasts, FedZero leverages the spatio-temporal availability of excess resources by selecting clients for fast convergence and fair participation. Our evaluation, based on real solar and load traces, shows that FedZero converges significantly faster than existing approaches under the mentioned constraints while consuming less energy. Furthermore, it is robust to forecasting errors and scalable to tens of thousands of clients.

Generative models for graphs often encounter scalability challenges due to the inherent need to predict interactions for every node pair. Despite the sparsity often exhibited by real-world graphs, the unpredictable sparsity patterns of their adjacency matrices, stemming from their unordered nature, leads to quadratic computational complexity. In this work, we introduce SparseDiff, a denoising diffusion model for graph generation that is able to exploit sparsity during its training phase. At the core of SparseDiff is a message-passing neural network tailored to predict only a subset of edges during each forward pass. When combined with a sparsity-preserving noise model, this model can efficiently work with edge lists representations of graphs, paving the way for scalability to much larger structures. During the sampling phase, SparseDiff iteratively populates the adjacency matrix from its prior state, ensuring prediction of the full graph while controlling memory utilization. Experimental results show that SparseDiff simultaneously matches state-of-the-art in generation performance on both small and large graphs, highlighting the versatility of our method.

Optical Coherence Tomography Angiography (OCTA) is a non-invasive imaging technique that provides high-resolution cross-sectional images of the retina, which are useful for diagnosing and monitoring various retinal diseases. However, manual segmentation of OCTA images is a time-consuming and labor-intensive task, which motivates the development of automated segmentation methods. In this paper, we propose a novel multi-task learning method for OCTA segmentation, called OCTA-MTL, that leverages an image-to-DT (Distance Transform) branch and an adaptive loss combination strategy. The image-to-DT branch predicts the distance from each vessel voxel to the vessel surface, which can provide useful shape prior and boundary information for the segmentation task. The adaptive loss combination strategy dynamically adjusts the loss weights according to the inverse of the average loss values of each task, to balance the learning process and avoid the dominance of one task over the other. We evaluate our method on the ROSE-2 dataset its superiority in terms of segmentation performance against two baseline methods: a single-task segmentation method and a multi-task segmentation method with a fixed loss combination.

We propose a notion of common information that allows one to quantify and separate the information that is shared between two random variables from the information that is unique to each. Our notion of common information is defined by an optimization problem over a family of functions and recovers the G\'acs-K\"orner common information as a special case. Importantly, our notion can be approximated empirically using samples from the underlying data distribution. We then provide a method to partition and quantify the common and unique information using a simple modification of a traditional variational auto-encoder. Empirically, we demonstrate that our formulation allows us to learn semantically meaningful common and unique factors of variation even on high-dimensional data such as images and videos. Moreover, on datasets where ground-truth latent factors are known, we show that we can accurately quantify the common information between the random variables.

Neural networks are capable of translating between languages -- in some cases even between two languages where there is little or no access to parallel translations, in what is known as Unsupervised Machine Translation (UMT). Given this progress, it is intriguing to ask whether machine learning tools can ultimately enable understanding animal communication, particularly that of highly intelligent animals. We propose a theoretical framework for analyzing UMT when no parallel translations are available and when it cannot be assumed that the source and target corpora address related subject domains or posses similar linguistic structure. We exemplify this theory with two stylized models of language, for which our framework provides bounds on necessary sample complexity; the bounds are formally proven and experimentally verified on synthetic data. These bounds show that the error rates are inversely related to the language complexity and amount of common ground. This suggests that unsupervised translation of animal communication may be feasible if the communication system is sufficiently complex.

Out-of-distribution (OOD) detection aims to identify test examples that do not belong to the training distribution and are thus unlikely to be predicted reliably. Despite a plethora of existing works, most of them focused only on the scenario where OOD examples come from semantic shift (e.g., unseen categories), ignoring other possible causes (e.g., covariate shift). In this paper, we present a novel, unifying framework to study OOD detection in a broader scope. Instead of detecting OOD examples from a particular cause, we propose to detect examples that a deployed machine learning model (e.g., an image classifier) is unable to predict correctly. That is, whether a test example should be detected and rejected or not is ``model-specific''. We show that this framework unifies the detection of OOD examples caused by semantic shift and covariate shift, and closely addresses the concern of applying a machine learning model to uncontrolled environments. We provide an extensive analysis that involves a variety of models (e.g., different architectures and training strategies), sources of OOD examples, and OOD detection approaches, and reveal several insights into improving and understanding OOD detection in uncontrolled environments.

A significant amount of protein function requires binding small molecules, including enzymatic catalysis. As such, designing binding pockets for small molecules has several impactful applications ranging from drug synthesis to energy storage. Towards this goal, we first develop HarmonicFlow, an improved generative process over 3D protein-ligand binding structures based on our self-conditioned flow matching objective. FlowSite extends this flow model to jointly generate a protein pocket's discrete residue types and the molecule's binding 3D structure. We show that HarmonicFlow improves upon state-of-the-art generative processes for docking in simplicity, generality, and average sample quality in pocket-level docking. Enabled by this structure modeling, FlowSite designs binding sites substantially better than baseline approaches.

This paper concerns the approximation of smooth, high-dimensional functions from limited samples using polynomials. This task lies at the heart of many applications in computational science and engineering - notably, some of those arising from parametric modelling and computational uncertainty quantification. It is common to use Monte Carlo sampling in such applications, so as not to succumb to the curse of dimensionality. However, it is well known that such a strategy is theoretically suboptimal. Specifically, there are many polynomial spaces of dimension $n$ for which the sample complexity scales log-quadratically, i.e., like $c \cdot n^2 \cdot \log(n)$ as $n \rightarrow \infty$. This well-documented phenomenon has led to a concerted effort over the last decade to design improved, and moreover, near-optimal strategies, whose sample complexities scale log-linearly, or even linearly in $n$. In this work we demonstrate that Monte Carlo is actually a perfectly good strategy in high dimensions, despite its apparent suboptimality. We first document this phenomenon empirically via a systematic set of numerical experiments. Next, we present a theoretical analysis that rigorously justifies this fact in the case of holomorphic functions of infinitely-many variables. We show that there is a least-squares approximation based on $m$ Monte Carlo samples whose error decays algebraically fast in $m/\log(m)$, with a rate that is the same as that of the best $n$-term polynomial approximation. This result is non-constructive, since it assumes knowledge of a suitable polynomial subspace in which to perform the approximation. We next present a compressed sensing-based scheme that achieves the same rate, except for a larger polylogarithmic factor. This scheme is practical, and numerically it performs as well as or better than well-known adaptive least-squares schemes.

The subject of green AI has been gaining attention within the deep learning community given the recent trend of ever larger and more complex neural network models. Existing solutions for reducing the computational load of training at inference time usually involve pruning the network parameters. Pruning schemes often create extra overhead either by iterative training and fine-tuning for static pruning or repeated computation of a dynamic pruning graph. We propose a new parameter pruning strategy for learning a lighter-weight sub-network that minimizes the energy cost while maintaining comparable performance to the fully parameterised network on given downstream tasks. Our proposed pruning scheme is green-oriented, as it only requires a one-off training to discover the optimal static sub-networks by dynamic pruning methods. The pruning scheme consists of a binary gating module and a novel loss function to uncover sub-networks with user-defined sparsity. Our method enables pruning and training simultaneously, which saves energy in both the training and inference phases and avoids extra computational overhead from gating modules at inference time. Our results on CIFAR-10 and CIFAR-100 suggest that our scheme can remove 50% of connections in deep networks with less than 1% reduction in classification accuracy. Compared to other related pruning methods, our method demonstrates a lower drop in accuracy for equivalent reductions in computational cost.

The field of eXplainable Artificial Intelligence faces challenges due to the absence of a widely accepted taxonomy that facilitates the quantitative evaluation of explainability in Machine Learning algorithms. In this paper, we propose a novel taxonomy that addresses the current gap in the literature by providing a clear and unambiguous understanding of the key concepts and relationships in XAI. Our approach is rooted in a systematic analysis of existing definitions and frameworks, with a focus on transparency, interpretability, completeness, complexity and understandability as essential dimensions of explainability. This comprehensive taxonomy aims to establish a shared vocabulary for future research. To demonstrate the utility of our proposed taxonomy, we examine a case study of a Recommender System designed to curate and recommend the most suitable online resources from MERLOT. By employing the SHAP package, we quantify and enhance the explainability of the RS within the context of our newly developed taxonomy.

Contrails, short for condensation trails, are line-shaped ice clouds produced by aircraft engine exhaust when they fly through cold and humid air. They generate a greenhouse effect by absorbing or directing back to Earth approximately 33% of emitted outgoing longwave radiation. They account for over half of the climate change resulting from aviation activities. Avoiding contrails and adjusting flight routes could be an inexpensive and effective way to reduce their impact. An accurate, automated, and reliable detection algorithm is required to develop and evaluate contrail avoidance strategies. Advancement in contrail detection has been severely limited due to several factors, primarily due to a lack of quality-labeled data. Recently, proposed a large human-labeled Landsat-8 contrails dataset. Each contrail is carefully labeled with various inputs in various scenes of Landsat-8 satellite imagery. In this work, we benchmark several popular segmentation models with combinations of different loss functions and encoder backbones. This work is the first to apply state-of-the-art segmentation techniques to detect contrails in low-orbit satellite imagery. Our work can also be used as an open benchmark for contrail segmentation and is publicly available.

Large language models (LLMs) have shown great potential as general-purpose AI assistants in various domains. To meet the requirements of different applications, LLMs are often customized by further fine-tuning. However, the powerful learning ability of LLMs not only enables them to acquire new tasks but also makes them susceptible to learning undesired behaviors. For example, even safety-aligned LLMs can be easily fine-tuned into harmful assistants as the fine-tuning data often contains implicit or explicit harmful content. Can we train LLMs on harmful data without learning harmful behaviors? This paper proposes a controllable training framework that makes harmful behaviors unlearnable during the fine-tuning process. Specifically, we introduce ``security vectors'', a few new parameters that can be separated from the LLM, to ensure LLM's responses are consistent with the harmful behavior. Security vectors are activated during fine-tuning, the consistent behavior makes LLM believe that such behavior has already been learned, there is no need to further optimize for harmful data. During inference, we can deactivate security vectors to restore the LLM's normal behavior. The experimental results show that the security vectors generated by 100 harmful samples are enough to prevent LLM from learning 1000 harmful samples, while preserving the ability to learn other useful information.

A core challenge in the development of increasingly capable AI systems is to make them safe and reliable by ensuring their behaviour is consistent with human values. This challenge, known as the alignment problem, does not merely apply to hypothetical future AI systems that may pose catastrophic risks; it already applies to current systems, such as large language models, whose potential for harm is rapidly increasing. In this paper, I assess whether we are on track to solve the alignment problem for large language models, and what that means for the safety of future AI systems. I argue that existing strategies for alignment are insufficient, because large language models remain vulnerable to adversarial attacks that can reliably elicit unsafe behaviour. I offer an explanation of this lingering vulnerability on which it is not simply a contingent limitation of current language models, but has deep technical ties to a crucial aspect of what makes these models useful and versatile in the first place -- namely, their remarkable aptitude to learn "in context" directly from user instructions. It follows that the alignment problem is not only unsolved for current AI systems, but may be intrinsically difficult to solve without severely undermining their capabilities. Furthermore, this assessment raises concerns about the prospect of ensuring the safety of future and more capable AI systems.

The ever-growing concerns regarding data privacy have led to a paradigm shift in machine learning (ML) architectures from centralized to distributed approaches, giving rise to federated learning (FL) and split learning (SL) as the two predominant privacy-preserving ML mechanisms. However,implementing FL or SL in device-to-device (D2D)-enabled heterogeneous networks with diverse clients presents substantial challenges, including architecture scalability and prolonged training delays. To address these challenges, this article introduces two innovative hybrid distributed ML architectures, namely, hybrid split FL (HSFL) and hybrid federated SL (HFSL). Such architectures combine the strengths of both FL and SL in D2D-enabled heterogeneous wireless networks. We provide a comprehensive analysis of the performance and advantages of HSFL and HFSL, while also highlighting open challenges for future exploration. We support our proposals with preliminary simulations using three datasets in non-independent and non-identically distributed settings, demonstrating the feasibility of our architectures. Our simulations reveal notable reductions in communication/computation costs and training delays as compared to conventional FL and SL.

Conventional reinforcement learning (RL) algorithms exhibit broad generality in their theoretical formulation and high performance on several challenging domains when combined with powerful function approximation. However, developing RL algorithms that perform well across problems with unstructured observations at scale remains challenging because most function approximation methods rely on externally provisioned knowledge about the structure of the input for good performance (e.g. convolutional networks, graph neural networks, tile-coding). A common practice in RL is to evaluate algorithms on a single problem, or on problems with limited variation in the observation scale. RL practitioners lack a systematic way to study how well a single RL algorithm performs when instantiated across a range of problem scales, and they lack function approximation techniques that scale well with unstructured observations. We address these limitations by providing environments and algorithms to study scaling for unstructured observation vectors and flat action spaces. We introduce a family of combinatorial RL problems with an exponentially large state space and high-dimensional dynamics but where linear computation is sufficient to learn a (nonlinear) value function estimate for performant control. We provide an algorithm that constructs reward-relevant general value function (GVF) questions to find and exploit predictive structure directly from the experience stream. In an empirical evaluation of the approach on synthetic problems, we observe a sample complexity that scales linearly with the observation size. The proposed algorithm reliably outperforms a conventional deep RL algorithm on these scaling problems, and they exhibit several desirable auxiliary properties. These results suggest new algorithmic mechanisms by which algorithms can learn at scale from unstructured data.

The study of interacting dynamical systems continues to attract research interest in various fields of science and engineering. In a collection of interacting particles, the interaction network contains information about how various components interact with one another. Inferring the information about the interaction network from the dynamics of agents is a problem of long-standing interest. In this work, we employ a self-supervised neural network model to achieve two outcomes: to recover the interaction network and to predict the dynamics of individual agents. Both these information are inferred solely from the observed trajectory data. This work presents an application of the Neural Relational Inference model to two dynamical systems: coupled particles mediated by Hooke's law interaction and coupled phase (Kuramoto) oscillators.

Hybrid human-ML systems increasingly make consequential decisions in a wide range of domains. These systems are often introduced with the expectation that the combined human-ML system will achieve complementary performance, that is, the combined decision-making system will be an improvement compared with either decision-making agent in isolation. However, empirical results have been mixed, and existing research rarely articulates the sources and mechanisms by which complementary performance is expected to arise. Our goal in this work is to provide conceptual tools to advance the way researchers reason and communicate about human-ML complementarity. Drawing upon prior literature in human psychology, machine learning, and human-computer interaction, we propose a taxonomy characterizing distinct ways in which human and ML-based decision-making can differ. In doing so, we conceptually map potential mechanisms by which combining human and ML decision-making may yield complementary performance, developing a language for the research community to reason about design of hybrid systems in any decision-making domain. To illustrate how our taxonomy can be used to investigate complementarity, we provide a mathematical aggregation framework to examine enabling conditions for complementarity. Through synthetic simulations, we demonstrate how this framework can be used to explore specific aspects of our taxonomy and shed light on the optimal mechanisms for combining human-ML judgments

Theorems from universal algebra such as that of Murski\u{i} from the 1970s have a striking similarity to universal approximation results for neural nets along the lines of Cybenko's from the 1980s. We consider here a discrete analogue of the classical notion of a neural net which places these results in a unified setting. We introduce a learning algorithm based on polymorphisms of relational structures and show how to use it for a classical learning task.

The prosperity of deep neural networks (DNNs) is largely benefited from open-source datasets, based on which users can evaluate and improve their methods. In this paper, we revisit backdoor-based dataset ownership verification (DOV), which is currently the only feasible approach to protect the copyright of open-source datasets. We reveal that these methods are fundamentally harmful given that they could introduce malicious misclassification behaviors to watermarked DNNs by the adversaries. In this paper, we design DOV from another perspective by making watermarked models (trained on the protected dataset) correctly classify some `hard' samples that will be misclassified by the benign model. Our method is inspired by the generalization property of DNNs, where we find a \emph{hardly-generalized domain} for the original dataset (as its \emph{domain watermark}). It can be easily learned with the protected dataset containing modified samples. Specifically, we formulate the domain generation as a bi-level optimization and propose to optimize a set of visually-indistinguishable clean-label modified data with similar effects to domain-watermarked samples from the hardly-generalized domain to ensure watermark stealthiness. We also design a hypothesis-test-guided ownership verification via our domain watermark and provide the theoretical analyses of our method. Extensive experiments on three benchmark datasets are conducted, which verify the effectiveness of our method and its resistance to potential adaptive methods. The code for reproducing main experiments is available at \url{https://github.com/JunfengGo/Domain-Watermark}.

3D mesh segmentation is an important task with many biomedical applications. The human body has bilateral symmetry and some variations in organ positions. It allows us to expect a positive effect of rotation and inversion invariant layers in convolutional neural networks that perform biomedical segmentations. In this study, we show the impact of weight symmetry in neural networks that perform 3D mesh segmentation. We analyze the problem of 3D mesh segmentation for pathological vessel structures (aneurysms) and conventional anatomical structures (endocardium and epicardium of ventricles). Local geometrical features are encoded as sampling from the signed distance function, and the neural network performs prediction for each mesh node. We show that weight symmetry gains from 1 to 3% of additional accuracy and allows decreasing the number of trainable parameters up to 8 times without suffering the performance loss if neural networks have at least three convolutional layers. This also works for very small training sets.

Object rearrangement is a fundamental problem in robotics with various practical applications ranging from managing warehouses to cleaning and organizing home kitchens. While existing research has primarily focused on single-agent solutions, real-world scenarios often require multiple robots to work together on rearrangement tasks. This paper proposes a comprehensive learning-based framework for multi-agent object rearrangement planning, addressing the challenges of task sequencing and path planning in complex environments. The proposed method iteratively selects objects, determines their relocation regions, and pairs them with available robots under kinematic feasibility and task reachability for execution to achieve the target arrangement. Our experiments on a diverse range of simulated and real-world environments demonstrate the effectiveness and robustness of the proposed framework. Furthermore, results indicate improved performance in terms of traversal time and success rate compared to baseline approaches.

In the growing domain of scientific machine learning, in-context operator learning has shown notable potential in learning operators and solving differential equations using prompted data, during the inference stage without weight updates. However, the current model's overdependence on function data, may inadvertently overlook the invaluable human insight into the operator. To address this, we present a transformation of in-context operator learning into a multi-modal paradigm. In particular, we take inspiration from the recent success of large language models, and propose using "captions" to integrate human knowledge about the operator, expressed through natural language descriptions and equations. Also, we introduce a novel approach to train a language-model-like architecture, or directly fine-tune existing language models, for in-context operator learning. We beat the baseline on single-modal learning tasks, and also demonstrated the effectiveness of multi-modal learning in enhancing performance and reducing function data requirements. The proposed method not only significantly improves in-context operator learning, but also creates a new path for the application of language models.

Sampling a target probability distribution with an unknown normalization constant is a fundamental challenge in computational science and engineering. Recent work shows that algorithms derived by considering gradient flows in the space of probability measures open up new avenues for algorithm development. This paper makes three contributions to this sampling approach by scrutinizing the design components of such gradient flows. Any instantiation of a gradient flow for sampling needs an energy functional and a metric to determine the flow, as well as numerical approximations of the flow to derive algorithms. Our first contribution is to show that the Kullback-Leibler divergence, as an energy functional, has the unique property (among all f-divergences) that gradient flows resulting from it do not depend on the normalization constant of the target distribution. Our second contribution is to study the choice of metric from the perspective of invariance. The Fisher-Rao metric is known as the unique choice (up to scaling) that is diffeomorphism invariant. As a computationally tractable alternative, we introduce a relaxed, affine invariance property for the metrics and gradient flows. In particular, we construct various affine invariant Wasserstein and Stein gradient flows. Affine invariant gradient flows are shown to behave more favorably than their non-affine-invariant counterparts when sampling highly anisotropic distributions, in theory and by using particle methods. Our third contribution is to study, and develop efficient algorithms based on Gaussian approximations of the gradient flows; this leads to an alternative to particle methods. We establish connections between various Gaussian approximate gradient flows, discuss their relation to gradient methods arising from parametric variational inference, and study their convergence properties both theoretically and numerically.

The race to train language models on vast, diverse, and inconsistently documented datasets has raised pressing concerns about the legal and ethical risks for practitioners. To remedy these practices threatening data transparency and understanding, we convene a multi-disciplinary effort between legal and machine learning experts to systematically audit and trace 1800+ text datasets. We develop tools and standards to trace the lineage of these datasets, from their source, creators, series of license conditions, properties, and subsequent use. Our landscape analysis highlights the sharp divides in composition and focus of commercially open vs closed datasets, with closed datasets monopolizing important categories: lower resource languages, more creative tasks, richer topic variety, newer and more synthetic training data. This points to a deepening divide in the types of data that are made available under different license conditions, and heightened implications for jurisdictional legal interpretations of copyright and fair use. We also observe frequent miscategorization of licenses on widely used dataset hosting sites, with license omission of 70%+ and error rates of 50%+. This points to a crisis in misattribution and informed use of the most popular datasets driving many recent breakthroughs. As a contribution to ongoing improvements in dataset transparency and responsible use, we release our entire audit, with an interactive UI, the Data Provenance Explorer, which allows practitioners to trace and filter on data provenance for the most popular open source finetuning data collections: www.dataprovenance.org.

One of the most challenging problems in audio-driven talking head generation is achieving high-fidelity detail while ensuring precise synchronization. Given only a single reference image, extracting meaningful identity attributes becomes even more challenging, often causing the network to mirror the facial and lip structures too closely. To address these issues, we introduce RADIO, a framework engineered to yield high-quality dubbed videos regardless of the pose or expression in reference images. The key is to modulate the decoder layers using latent space composed of audio and reference features. Additionally, we incorporate ViT blocks into the decoder to emphasize high-fidelity details, especially in the lip region. Our experimental results demonstrate that RADIO displays high synchronization without the loss of fidelity. Especially in harsh scenarios where the reference frame deviates significantly from the ground truth, our method outperforms state-of-the-art methods, highlighting its robustness.

Large training sets have become a cornerstone of machine learning and are the foundation for recent advances in language modeling and multimodal learning. While data curation for pre-training is often still ad-hoc, one common paradigm is to first collect a massive pool of data from the Web and then filter this candidate pool down to an actual training set via various heuristics. In this work, we study the problem of learning a data filtering network (DFN) for this second step of filtering a large uncurated dataset. Our key finding is that the quality of a network for filtering is distinct from its performance on downstream tasks: for instance, a model that performs well on ImageNet can yield worse training sets than a model with low ImageNet accuracy that is trained on a small amount of high-quality data. Based on our insights, we construct new data filtering networks that induce state-of-the-art image-text datasets. Specifically, our best performing dataset DFN-5B enables us to train state-of-the-art CLIP models for their compute budgets: among other improvements on a variety of tasks, a ViT-H trained on our dataset achieves 84.4% zero-shot transfer accuracy on ImageNet, out-performing models trained on other datasets such as LAION-2B, DataComp-1B, or OpenAI's WIT. In order to facilitate further research in dataset design, we also release a new 2 billion example dataset DFN-2B and show that high performance data filtering networks can be trained from scratch using only publicly available data.

Due to the influence of many factors, including technical indicators on stock price prediction, feature selection is important to choose the best indicators. This study uses technical indicators and features selection and regression methods to solve the problem of closing the stock market price. The aim of this research is to predict the stock market price with the least error. By the proposed method, the data created by the 3-day time window were converted to the appropriate input for regression methods. In this paper, 10 regressor and 123 technical indicators have been examined on data of the last 13 years of Apple Company. The results have been investigated by 5 error-based evaluation criteria. Based on results of the proposed method, MLPSF has 56/47% better performance than MLP. Also, SVRSF has 67/42% improved compared to SVR. LRSF was 76.7 % improved compared to LR. The RISF method also improved 72.82 % of Ridge regression. The DTRSB method had 24.23 % improvement over DTR. KNNSB had 15.52 % improvement over KNN regression. RFSB had a 6 % improvement over RF. GBRSF also improved at 7% over GBR. Finally, ADASF and ADASB also had a 4% improvement over the ADA regression. Also, Ridge and LinearRegression had the best results for stock price prediction. Based on results, the best indicators to predict stock price are: the Squeeze_pro, Percentage Price Oscillator, Thermo, Decay, Archer On-Balance Volume, Bollinger Bands, Squeeze and Ichimoku indicator. According to the results, the use of suitable combination of suggested indicators along with regression methods has resulted in high accuracy in predicting the closing price.

Diverse explainability methods of graph neural networks (GNN) have recently been developed to highlight the edges and nodes in the graph that contribute the most to the model predictions. However, it is not clear yet how to evaluate the correctness of those explanations, whether it is from a human or a model perspective. One unaddressed bottleneck in the current evaluation procedure is the problem of out-of-distribution explanations, whose distribution differs from those of the training data. This important issue affects existing evaluation metrics such as the popular faithfulness or fidelity score. In this paper, we show the limitations of faithfulness metrics. We propose GInX-Eval (Graph In-distribution eXplanation Evaluation), an evaluation procedure of graph explanations that overcomes the pitfalls of faithfulness and offers new insights on explainability methods. Using a fine-tuning strategy, the GInX score measures how informative removed edges are for the model and the EdgeRank score evaluates if explanatory edges are correctly ordered by their importance. GInX-Eval verifies if ground-truth explanations are instructive to the GNN model. In addition, it shows that many popular methods, including gradient-based methods, produce explanations that are not better than a random designation of edges as important subgraphs, challenging the findings of current works in the area. Results with GInX-Eval are consistent across multiple datasets and align with human evaluation.

Conditional independence testing (CIT) is a common task in machine learning, e.g., for variable selection, and a main component of constraint-based causal discovery. While most current CIT approaches assume that all variables are numerical or all variables are categorical, many real-world applications involve mixed-type datasets that include numerical and categorical variables. Non-parametric CIT can be conducted using conditional mutual information (CMI) estimators combined with a local permutation scheme. Recently, two novel CMI estimators for mixed-type datasets based on k-nearest-neighbors (k-NN) have been proposed. As with any k-NN method, these estimators rely on the definition of a distance metric. One approach computes distances by a one-hot encoding of the categorical variables, essentially treating categorical variables as discrete-numerical, while the other expresses CMI by entropy terms where the categorical variables appear as conditions only. In this work, we study these estimators and propose a variation of the former approach that does not treat categorical variables as numeric. Our numerical experiments show that our variant detects dependencies more robustly across different data distributions and preprocessing types.

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such as machining errors, execution noise, or contextual variability. This uncertainty deviates the input from the intended value before evaluation, resulting in significant performance fluctuations in the final result. In this paper, we introduce a novel robust Bayesian Optimization algorithm, AIRBO, which can effectively identify a robust optimum that performs consistently well under arbitrary input uncertainty. Our method directly models the uncertain inputs of arbitrary distributions by empowering the Gaussian Process with the Maximum Mean Discrepancy (MMD) and further accelerates the posterior inference via Nystrom approximation. Rigorous theoretical regret bound is established under MMD estimation error and extensive experiments on synthetic functions and real problems demonstrate that our approach can handle various input uncertainties and achieve state-of-the-art performance.

In this work, we investigate exemplar-free class incremental learning (CIL) with knowledge distillation (KD) as a regularization strategy, aiming to prevent forgetting. KD-based methods are successfully used in CIL, but they often struggle to regularize the model without access to exemplars of the training data from previous tasks. Our analysis reveals that this issue originates from substantial representation shifts in the teacher network when dealing with out-of-distribution data. This causes large errors in the KD loss component, leading to performance degradation in CIL models. Inspired by recent test-time adaptation methods, we introduce Teacher Adaptation (TA), a method that concurrently updates the teacher and the main models during incremental training. Our method seamlessly integrates with KD-based CIL approaches and allows for consistent enhancement of their performance across multiple exemplar-free CIL benchmarks. The source code for our method is available at https://github.com/fszatkowski/cl-teacher-adaptation.

We introduce AMAGO, an in-context Reinforcement Learning (RL) agent that uses sequence models to tackle the challenges of generalization, long-term memory, and meta-learning. Recent works have shown that off-policy learning can make in-context RL with recurrent policies viable. Nonetheless, these approaches require extensive tuning and limit scalability by creating key bottlenecks in agents' memory capacity, planning horizon, and model size. AMAGO revisits and redesigns the off-policy in-context approach to successfully train long-sequence Transformers over entire rollouts in parallel with end-to-end RL. Our agent is uniquely scalable and applicable to a wide range of problems. We demonstrate its strong performance empirically in meta-RL and long-term memory domains. AMAGO's focus on sparse rewards and off-policy data also allows in-context learning to extend to goal-conditioned problems with challenging exploration. When combined with a novel hindsight relabeling scheme, AMAGO can solve a previously difficult category of open-world domains, where agents complete many possible instructions in procedurally generated environments. We evaluate our agent on three goal-conditioned domains and study how its individual improvements connect to create a generalist policy.

Simply-verifiable mathematical conditions for existence, uniqueness and explicit analytical computation of minimal adversarial paths (MAP) and minimal adversarial distances (MAD) for (locally) uniquely-invertible classifiers, for generalized linear models (GLM), and for entropic AI (EAI) are formulated and proven. Practical computation of MAP and MAD, their comparison and interpretations for various classes of AI tools (for neuronal networks, boosted random forests, GLM and EAI) are demonstrated on the common synthetic benchmarks: on a double Swiss roll spiral and its extensions, as well as on the two biomedical data problems (for the health insurance claim predictions, and for the heart attack lethality classification). On biomedical applications it is demonstrated how MAP provides unique minimal patient-specific risk-mitigating interventions in the predefined subsets of accessible control variables.

Early detection of inflammatory arthritis (IA) is critical to efficient and accurate hospital referral triage for timely treatment and preventing the deterioration of the IA disease course, especially under limited healthcare resources. The manual assessment process is the most common approach in practice for the early detection of IA, but it is extremely labor-intensive and inefficient. A large amount of clinical information needs to be assessed for every referral from General Practice (GP) to the hospitals. Machine learning shows great potential in automating repetitive assessment tasks and providing decision support for the early detection of IA. However, most machine learning-based methods for IA detection rely on blood testing results. But in practice, blood testing data is not always available at the point of referrals, so we need methods to leverage multimodal data such as semi-structured and unstructured data for early detection of IA. In this research, we present fusion and ensemble learning-based methods using multimodal data to assist decision-making in the early detection of IA, and a conformal prediction-based method to quantify the uncertainty of the prediction and detect any unreliable predictions. To the best of our knowledge, our study is the first attempt to utilize multimodal data to support the early detection of IA from GP referrals.

De novo drug design requires simultaneously generating novel molecules outside of training data and predicting their target properties, making it a hard task for generative models. To address this, we propose Joint Transformer that combines a Transformer decoder, a Transformer encoder, and a predictor in a joint generative model with shared weights. We show that training the model with a penalized log-likelihood objective results in state-of-the-art performance in molecule generation, while decreasing the prediction error on newly sampled molecules, as compared to a fine-tuned decoder-only Transformer, by 42%. Finally, we propose a probabilistic black-box optimization algorithm that employs Joint Transformer to generate novel molecules with improved target properties, as compared to the training data, outperforming other SMILES-based optimization methods in de novo drug design.

Most existing methods that address out-of-distribution (OOD) generalization for node classification on graphs primarily focus on a specific type of data biases, such as label selection bias or structural bias. However, anticipating the type of bias in advance is extremely challenging, and designing models solely for one specific type may not necessarily improve overall generalization performance. Moreover, limited research has focused on the impact of mixed biases, which are more prevalent and demanding in real-world scenarios. To address these limitations, we propose a novel Causality and Independence Enhancement (CIE) framework, applicable to various graph neural networks (GNNs). Our approach estimates causal and spurious features at the node representation level and mitigates the influence of spurious correlations through the backdoor adjustment. Meanwhile, independence constraint is introduced to improve the discriminability and stability of causal and spurious features in complex biased environments. Essentially, CIE eliminates different types of data biases from a unified perspective, without the need to design separate methods for each bias as before. To evaluate the performance under specific types of data biases, mixed biases, and low-resource scenarios, we conducted comprehensive experiments on five publicly available datasets. Experimental results demonstrate that our approach CIE not only significantly enhances the performance of GNNs but outperforms state-of-the-art debiased node classification methods.

We investigate the online overlapping batch-means covariance estimator for Stochastic Gradient Descent (SGD) under Markovian sampling. Convergence rates of order $O\big(\sqrt{d}\,n^{-1/8}(\log n)^{1/4}\big)$ and $O\big(\sqrt{d}\,n^{-1/8}\big)$ are established under state-dependent and state-independent Markovian sampling, respectively, where $d$ is the dimensionality and $n$ denotes observations or SGD iterations. These rates match the best-known convergence rate for independent and identically distributed (i.i.d) data. Our analysis overcomes significant challenges that arise due to Markovian sampling, leading to the introduction of additional error terms and complex dependencies between the blocks of the batch-means covariance estimator. Moreover, we establish the convergence rate for the first four moments of the $\ell_2$ norm of the error of SGD dynamics under state-dependent Markovian data, which holds potential interest as an independent result. Numerical illustrations provide confidence intervals for SGD in linear and logistic regression models under Markovian sampling. Additionally, our method is applied to the strategic classification with logistic regression, where adversaries adaptively modify features during training to affect target class classification.

Large pre-trained vision-language models such as CLIP have demonstrated great potential in zero-shot transferability to downstream tasks. However, to attain optimal performance, the manual selection of prompts is necessary to improve alignment between the downstream image distribution and the textual class descriptions. This manual prompt engineering is the major challenge for deploying such models in practice since it requires domain expertise and is extremely time-consuming. To avoid non-trivial prompt engineering, recent work Context Optimization (CoOp) introduced the concept of prompt learning to the vision domain using learnable textual tokens. While CoOp can achieve substantial improvements over manual prompts, its learned context is worse generalizable to wider unseen classes within the same dataset. In this work, we present Prompt Learning with Reparameterization Encoder (PRE) - a simple and efficient method that enhances the generalization ability of the learnable prompt to unseen classes while maintaining the capacity to learn Base classes. Instead of directly optimizing the prompts, PRE employs a prompt encoder to reparameterize the input prompt embeddings, enhancing the exploration of task-specific knowledge from few-shot samples. Experiments and extensive ablation studies on 8 benchmarks demonstrate that our approach is an efficient method for prompt learning. Specifically, PRE achieves a notable enhancement of 5.60% in average accuracy on New classes and 3% in Harmonic mean compared to CoOp in the 16-shot setting, all achieved within a good training time.

Floods are one of the most common natural disasters, with a disproportionate impact in developing countries that often lack dense streamflow gauge networks. Accurate and timely warnings are critical for mitigating flood risks, but hydrological simulation models typically must be calibrated to long data records in each watershed. Using AI, we achieve reliability in predicting extreme riverine events in ungauged watersheds at up to a 5-day lead time that is similar to or better than the reliability of nowcasts (0-day lead time) from a current state of the art global modeling system (the Copernicus Emergency Management Service Global Flood Awareness System). Additionally, we achieve accuracies over 5-year return period events that are similar to or better than current accuracies over 1-year return period events. This means that AI can provide flood warnings earlier and over larger and more impactful events in ungauged basins. The model developed in this paper was incorporated into an operational early warning system that produces publicly available (free and open) forecasts in real time in over 80 countries. This work highlights a need for increasing the availability of hydrological data to continue to improve global access to reliable flood warnings.

Proteins play a pivotal role in biological systems. The use of machine learning algorithms for protein classification can assist and even guide biological experiments, offering crucial insights for biotechnological applications. We introduce the Support Bio-Sequence Machine for Proteins (SBSM-Pro), a model purpose-built for the classification of biological sequences. This model starts with raw sequences and groups amino acids based on their physicochemical properties. It incorporates sequence alignment to measure the similarities between proteins and uses a novel multiple kernel learning (MKL) approach to integrate various types of information, utilizing support vector machines for classification prediction. The results indicate that our model demonstrates commendable performance across ten datasets in terms of the identification of protein function and posttranslational modification. This research not only exemplifies state-of-the-art work in protein classification but also paves avenues for new directions in this domain, representing a beneficial endeavor in the development of platforms tailored for the classification of biological sequences. SBSM-Pro is available for access at this http URL

Ant Colony Optimization (ACO) is a meta-heuristic algorithm that has been successfully applied to various Combinatorial Optimization Problems (COPs). Traditionally, customizing ACO for a specific problem requires the expert design of knowledge-driven heuristics. In this paper, we propose DeepACO, a generic framework that leverages deep reinforcement learning to automate heuristic designs. DeepACO serves to strengthen the heuristic measures of existing ACO algorithms and dispense with laborious manual design in future ACO applications. As a neural-enhanced meta-heuristic, DeepACO consistently outperforms its ACO counterparts on eight COPs using a single neural architecture and a single set of hyperparameters. As a Neural Combinatorial Optimization method, DeepACO performs better than or on par with problem-specific methods on canonical routing problems. Our code is publicly available at https://github.com/henry-yeh/DeepACO.

Fully automatic cardiac segmentation can be a fast and reproducible method to extract clinical measurements from an echocardiography examination. The U-Net architecture is the current state-of-the-art deep learning architecture for medical segmentation and can segment cardiac structures in real-time with average errors comparable to inter-observer variability. However, this architecture still generates large outliers that are often anatomically incorrect. This work uses the concept of graph convolutional neural networks that predict the contour points of the structures of interest instead of labeling each pixel. We propose a graph architecture that uses two convolutional rings based on cardiac anatomy and show that this eliminates anatomical incorrect multi-structure segmentations on the publicly available CAMUS dataset. Additionally, this work contributes with an ablation study on the graph convolutional architecture and an evaluation of clinical measurements on the clinical HUNT4 dataset. Finally, we propose to use the inter-model agreement of the U-Net and the graph network as a predictor of both the input and segmentation quality. We show this predictor can detect out-of-distribution and unsuitable input images in real-time. Source code is available online: https://github.com/gillesvntnu/GCN_multistructure

This paper proposes a new active learning method for semantic segmentation. The core of our method lies in a new annotation query design. It samples informative local image regions (e.g., superpixels), and for each of such regions, asks an oracle for a multi-hot vector indicating all classes existing in the region. This multi-class labeling strategy is substantially more efficient than existing ones like segmentation, polygon, and even dominant class labeling in terms of annotation time per click. However, it introduces the class ambiguity issue in training as it assigns partial labels (i.e., a set of candidate classes) to individual pixels. We thus propose a new algorithm for learning semantic segmentation while disambiguating the partial labels in two stages. In the first stage, it trains a segmentation model directly with the partial labels through two new loss functions motivated by partial label learning and multiple instance learning. In the second stage, it disambiguates the partial labels by generating pixel-wise pseudo labels, which are used for supervised learning of the model. Equipped with a new acquisition function dedicated to the multi-class labeling, our method outperforms previous work on Cityscapes and PASCAL VOC 2012 while spending less annotation cost. Our code and results are available at https://github.com/sehyun03/MulActSeg.

Predicting multiple real-world tasks in a single model often requires a particularly diverse feature space. Multimodal (MM) models aim to extract the synergistic predictive potential of multiple data types to create a shared feature space with aligned semantic meaning across inputs of drastically varying sizes (i.e. images, text, sound). Most current MM architectures fuse these representations in parallel, which not only limits their interpretability but also creates a dependency on modality availability. We present MultiModN, a multimodal, modular network that fuses latent representations in a sequence of any number, combination, or type of modality while providing granular real-time predictive feedback on any number or combination of predictive tasks. MultiModN's composable pipeline is interpretable-by-design, as well as innately multi-task and robust to the fundamental issue of biased missingness. We perform four experiments on several benchmark MM datasets across 10 real-world tasks (predicting medical diagnoses, academic performance, and weather), and show that MultiModN's sequential MM fusion does not compromise performance compared with a baseline of parallel fusion. By simulating the challenging bias of missing not-at-random (MNAR), this work shows that, contrary to MultiModN, parallel fusion baselines erroneously learn MNAR and suffer catastrophic failure when faced with different patterns of MNAR at inference. To the best of our knowledge, this is the first inherently MNAR-resistant approach to MM modeling. In conclusion, MultiModN provides granular insights, robustness, and flexibility without compromising performance.

Bayesian Optimization (BO), guided by Gaussian process (GP) surrogates, has proven to be an invaluable technique for efficient, high-dimensional, black-box optimization, a critical problem inherent to many applications such as industrial design and scientific computing. Recent contributions have introduced reinforcement learning (RL) to improve the optimization performance on both single function optimization and \textit{few-shot} multi-objective optimization. However, even few-shot techniques fail to exploit similarities shared between closely related objectives. In this paper, we combine recent developments in Deep Kernel Learning (DKL) and attention-based Transformer models to improve the modeling powers of GP surrogates with meta-learning. We propose a novel method for improving meta-learning BO surrogates by incorporating attention mechanisms into DKL, empowering the surrogates to adapt to contextual information gathered during the BO process. We combine this Transformer Deep Kernel with a learned acquisition function trained with continuous Soft Actor-Critic Reinforcement Learning to aid in exploration. This Reinforced Transformer Deep Kernel (RTDK-BO) approach yields state-of-the-art results in continuous high-dimensional optimization problems.

Time series forecasting represents a significant and challenging task across various fields. Recently, methods based on mode decomposition have dominated the forecasting of complex time series because of the advantages of capturing local characteristics and extracting intrinsic modes from data. Unfortunately, most models fail to capture the implied volatilities that contain significant information. To enhance the forecasting of current, rapidly evolving, and volatile time series, we propose a novel decomposition-ensemble paradigm, the VMD-LSTM-GARCH model. The Variational Mode Decomposition algorithm is employed to decompose the time series into K sub-modes. Subsequently, the GARCH model extracts the volatility information from these sub-modes, which serve as the input for the LSTM. The numerical and volatility information of each sub-mode is utilized to train a Long Short-Term Memory network. This network predicts the sub-mode, and then we aggregate the predictions from all sub-modes to produce the output. By integrating econometric and artificial intelligence methods, and taking into account both the numerical and volatility information of the time series, our proposed model demonstrates superior performance in time series forecasting, as evidenced by the significant decrease in MSE, RMSE, and MAPE in our comparative experimental results.

The performance of reproducing kernel Hilbert space-based methods is known to be sensitive to the choice of the reproducing kernel. Choosing an adequate reproducing kernel can be challenging and computationally demanding, especially in data-rich tasks without prior information about the solution domain. In this paper, we propose a learning scheme that scalably combines several single kernel-based online methods to reduce the kernel-selection bias. The proposed learning scheme applies to any task formulated as a regularized empirical risk minimization convex problem. More specifically, our learning scheme is based on a multi-kernel learning formulation that can be applied to widen any single-kernel solution space, thus increasing the possibility of finding higher-performance solutions. In addition, it is parallelizable, allowing for the distribution of the computational load across different computing units. We show experimentally that the proposed learning scheme outperforms the combined single-kernel online methods separately in terms of the cumulative regularized least squares cost metric.

We study optimal data pooling for shared learning in two common maintenance operations: condition-based maintenance and spare parts management. We consider a set of systems subject to Poisson input -- the degradation or demand process -- that are coupled through an a-priori unknown rate. Decision problems involving these systems are high-dimensional Markov decision processes (MDPs) and hence notoriously difficult to solve. We present a decomposition result that reduces such an MDP to two-dimensional MDPs, enabling structural analyses and computations. Leveraging this decomposition, we (i) demonstrate that pooling data can lead to significant cost reductions compared to not pooling, and (ii) show that the optimal policy for the condition-based maintenance problem is a control limit policy, while for the spare parts management problem, it is an order-up-to level policy, both dependent on the pooled data.

What spatial frequency information do humans and neural networks use to recognize objects? In neuroscience, critical band masking is an established tool that can reveal the frequency-selective filters used for object recognition. Critical band masking measures the sensitivity of recognition performance to noise added at each spatial frequency. Existing critical band masking studies show that humans recognize periodic patterns (gratings) and letters by means of a spatial-frequency filter (or "channel") that has a frequency bandwidth of one octave (doubling of frequency). Here, we introduce critical band masking as a task for network-human comparison and test 14 humans and 76 neural networks on 16-way ImageNet categorization in the presence of narrowband noise. We find that humans recognize objects in natural images using the same one-octave-wide channel that they use for letters and gratings, making it a canonical feature of human object recognition. Unlike humans, the neural network channel is very broad, 2-4 times wider than the human channel. Thus, noise at certain high and low frequencies will impair network performance and spare human performance. Adversarial and augmented-image training are commonly used to increase network robustness and shape bias. Does this training align network and human object recognition channels? Three network channel properties (bandwidth, center frequency, peak noise sensitivity) correlate strongly with shape bias (51% variance explained) and robustness of adversarially-trained networks (66% variance explained). Adversarial training increases robustness but expands the channel bandwidth even further beyond the human bandwidth. Thus, critical band masking reveals that the network channel is more than twice as wide as the human channel, and that adversarial training only makes it worse. Networks with narrower channels might be more robust.

Due to the high heterogeneity and clinical characteristics of cancer, there are significant differences in multi-omics data and clinical features among subtypes of different cancers. Therefore, the identification and discovery of cancer subtypes are crucial for the diagnosis, treatment, and prognosis of cancer. In this study, we proposed a generalization framework based on attention mechanisms for unsupervised contrastive learning to analyze cancer multi-omics data for the identification and characterization of cancer subtypes. The framework contains a symmetric unsupervised multi-head attention encoder, which can deeply extract contextual features and long-range dependencies of multi-omics data, reducing the impact of noise in multi-omics data. Importantly, the proposed framework includes a decoupled contrastive learning model (DEDUCE) based on a multi-head attention mechanism to learn multi-omics data features and clustering and identify cancer subtypes. This method clusters subtypes by calculating the similarity between samples in the feature space and sample space of multi-omics data. The basic idea is to decouple different attributes of multi-omics data features and learn them as contrasting terms. Construct a contrastive loss function to measure the difference between positive examples and negative examples, and minimize this difference, thereby encouraging the model to learn better feature representation. The DEDUCE model conducts large-scale experiments on simulated multi-omics data sets, single-cell multi-omics data sets and cancer multi-omics data sets, and the results are better than 10 deep learning models. Finally, we used the DEDUCE model to reveal six cancer subtypes of AML. By analyzing GO functional enrichment, subtype-specific biological functions and GSEA of AML,

Learning relies on coordinated synaptic changes in recurrently connected populations of neurons. Therefore, understanding the collective evolution of synaptic connectivity over learning is a key challenge in neuroscience and machine learning. In particular, recent work has shown that the weight matrices of task-trained RNNs are typically low rank, but how this low rank structure unfolds over learning is unknown. To address this, we investigate the rank of the 3-tensor formed by the weight matrices throughout learning. By fitting RNNs of varying rank to large-scale neural recordings during a motor learning task, we find that the inferred weights are low-tensor-rank and therefore evolve over a fixed low-dimensional subspace throughout the entire course of learning. We next validate the observation of low-tensor-rank learning on an RNN trained to solve the same task. Finally, we present a set of mathematical results bounding the matrix and tensor ranks of gradient descent learning dynamics which show that low-tensor-rank weights emerge naturally in RNNs trained to solve low-dimensional tasks. Taken together, our findings provide insight on the evolution of population connectivity over learning in both biological and artificial neural networks, and enable reverse engineering of learning-induced changes in recurrent dynamics from large-scale neural recordings.

While numerous defense methods have been proposed to prohibit potential poisoning attacks from untrusted data sources, most research works only defend against specific attacks, which leaves many avenues for an adversary to exploit. In this work, we propose an efficient and robust training approach to defend against data poisoning attacks based on influence functions, named Healthy Influential-Noise based Training. Using influence functions, we craft healthy noise that helps to harden the classification model against poisoning attacks without significantly affecting the generalization ability on test data. In addition, our method can perform effectively when only a subset of the training data is modified, instead of the current method of adding noise to all examples that has been used in several previous works. We conduct comprehensive evaluations over two image datasets with state-of-the-art poisoning attacks under different realistic attack scenarios. Our empirical results show that HINT can efficiently protect deep learning models against the effect of both untargeted and targeted poisoning attacks.

The increasing global emphasis on sustainability and reducing carbon emissions is pushing governments and corporations to rethink their approach to data center design and operation. Given their high energy consumption and exponentially large computational workloads, data centers are prime candidates for optimizing power consumption, especially in areas such as cooling and IT energy usage. A significant challenge in this pursuit is the lack of a configurable and scalable thermal data center model that offers an end-to-end pipeline. Data centers consist of multiple IT components whose geometric configuration and heat dissipation make thermal modeling difficult. This paper presents PyDCM, a customizable Data Center Model implemented in Python, that allows users to create unique configurations of IT equipment with custom server specifications and geometric arrangements of IT cabinets. The use of vectorized thermal calculations makes PyDCM orders of magnitude faster (30 times) than current Energy Plus modeling implementations and scales sublinearly with the number of CPUs. Also, PyDCM enables the use of Deep Reinforcement Learning via the Gymnasium wrapper to optimize data center cooling and offers a user-friendly platform for testing various data center design prototypes.

Sequential data collection has emerged as a widely adopted technique for enhancing the efficiency of data gathering processes. Despite its advantages, such data collection mechanism often introduces complexities to the statistical inference procedure. For instance, the ordinary least squares (OLS) estimator in an adaptive linear regression model can exhibit non-normal asymptotic behavior, posing challenges for accurate inference and interpretation. In this paper, we propose a general method for constructing debiased estimator which remedies this issue. It makes use of the idea of adaptive linear estimating equations, and we establish theoretical guarantees of asymptotic normality, supplemented by discussions on achieving near-optimal asymptotic variance. A salient feature of our estimator is that in the context of multi-armed bandits, our estimator retains the non-asymptotic performance of the least square estimator while obtaining asymptotic normality property. Consequently, this work helps connect two fruitful paradigms of adaptive inference: a) non-asymptotic inference using concentration inequalities and b) asymptotic inference via asymptotic normality.

Adversarial examples in machine learning has emerged as a focal point of research due to their remarkable ability to deceive models with seemingly inconspicuous input perturbations, potentially resulting in severe consequences. In this study, we embark on a comprehensive exploration of adversarial machine learning models, shedding light on their intrinsic complexity and interpretability. Our investigation reveals intriguing links between machine learning model complexity and Einstein's theory of special relativity, all through the lens of entanglement. While our work does not primarily center on quantum entanglement, we instead define the entanglement correlations we have discovered to be computational, and demonstrate that distant feature samples can be entangled, strongly resembling entanglement correlation in the quantum realm. This revelation bestows fresh insights for understanding the phenomenon of emergent adversarial examples in modern machine learning, potentially paving the way for more robust and interpretable models in this rapidly evolving field.

In adaptive data analysis, a mechanism gets $n$ i.i.d. samples from an unknown distribution $D$, and is required to provide accurate estimations to a sequence of adaptively chosen statistical queries with respect to $D$. Hardt and Ullman (FOCS 2014) and Steinke and Ullman (COLT 2015) showed that in general, it is computationally hard to answer more than $\Theta(n^2)$ adaptive queries, assuming the existence of one-way functions. However, these negative results strongly rely on an adversarial model that significantly advantages the adversarial analyst over the mechanism, as the analyst, who chooses the adaptive queries, also chooses the underlying distribution $D$. This imbalance raises questions with respect to the applicability of the obtained hardness results -- an analyst who has complete knowledge of the underlying distribution $D$ would have little need, if at all, to issue statistical queries to a mechanism which only holds a finite number of samples from $D$. We consider more restricted adversaries, called \emph{balanced}, where each such adversary consists of two separated algorithms: The \emph{sampler} who is the entity that chooses the distribution and provides the samples to the mechanism, and the \emph{analyst} who chooses the adaptive queries, but has no prior knowledge of the underlying distribution (and hence has no a priori advantage with respect to the mechanism). We improve the quality of previous lower bounds by revisiting them using an efficient \emph{balanced} adversary, under standard public-key cryptography assumptions. We show that these stronger hardness assumptions are unavoidable in the sense that any computationally bounded \emph{balanced} adversary that has the structure of all known attacks, implies the existence of public-key cryptography.

Federated Learning (FL) is an emerging paradigm that allows a model to be trained across a number of participants without sharing data. Recent works have begun to consider the effects of using pre-trained models as an initialization point for existing FL algorithms; however, these approaches ignore the vast body of efficient transfer learning literature from the centralized learning setting. Here we revisit the problem of FL from a pre-trained model considered in prior work and expand it to a set of computer vision transfer learning problems. We first observe that simply fitting a linear classification head can be efficient and effective in many cases. We then show that in the FL setting, fitting a classifier using the Nearest Class Means (NCM) can be done exactly and orders of magnitude more efficiently than existing proposals, while obtaining strong performance. Finally, we demonstrate that using a two-phase approach of obtaining the classifier and then fine-tuning the model can yield rapid convergence and improved generalization in the federated setting. We demonstrate the potential our method has to reduce communication and compute costs while achieving better model performance.

Unsupervised machine learning models build an internal representation of their training data without the need for explicit human guidance or feature engineering. This learned representation provides insights into which features of the data are relevant for the task at hand. In the context of quantum physics, training models to describe quantum states without human intervention offers a promising approach to gaining insight into how machines represent complex quantum states. The ability to interpret the learned representation may offer a new perspective on non-trivial features of quantum systems and their efficient representation. We train a generative model on two-qubit density matrices generated by a parameterized quantum circuit. In a series of computational experiments, we investigate the learned representation of the model and its internal understanding of the data. We observe that the model learns an interpretable representation which relates the quantum states to their underlying entanglement characteristics. In particular, our results demonstrate that the latent representation of the model is directly correlated with the entanglement measure concurrence. The insights from this study represent proof of concept towards interpretable machine learning of quantum states. Our approach offers insight into how machines learn to represent small-scale quantum systems autonomously.

Despite the remarkable performance of text-to-image diffusion models in image generation tasks, recent studies have raised the issue that generated images sometimes cannot capture the intended semantic contents of the text prompts, which phenomenon is often called semantic misalignment. To address this, here we present a novel energy-based model (EBM) framework for adaptive context control by modeling the posterior of context vectors. Specifically, we first formulate EBMs of latent image representations and text embeddings in each cross-attention layer of the denoising autoencoder. Then, we obtain the gradient of the log posterior of context vectors, which can be updated and transferred to the subsequent cross-attention layer, thereby implicitly minimizing a nested hierarchy of energy functions. Our latent EBMs further allow zero-shot compositional generation as a linear combination of cross-attention outputs from different contexts. Using extensive experiments, we demonstrate that the proposed method is highly effective in handling various image generation tasks, including multi-concept generation, text-guided image inpainting, and real and synthetic image editing. Code: https://github.com/EnergyAttention/Energy-Based-CrossAttention.

We consider the problem of generating periodic materials with deep models. While symmetry-aware molecule generation has been studied extensively, periodic materials possess different symmetries, which have not been completely captured by existing methods. In this work, we propose SyMat, a novel material generation approach that can capture physical symmetries of periodic material structures. SyMat generates atom types and lattices of materials through generating atom type sets, lattice lengths and lattice angles with a variational auto-encoder model. In addition, SyMat employs a score-based diffusion model to generate atom coordinates of materials, in which a novel symmetry-aware probabilistic model is used in the coordinate diffusion process. We show that SyMat is theoretically invariant to all symmetry transformations on materials and demonstrate that SyMat achieves promising performance on random generation and property optimization tasks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

We focus on developing efficient and reliable policy optimization strategies for robot learning with real-world data. In recent years, policy gradient methods have emerged as a promising paradigm for training control policies in simulation. However, these approaches often remain too data inefficient or unreliable to train on real robotic hardware. In this paper we introduce a novel policy gradient-based policy optimization framework which systematically leverages a (possibly highly simplified) first-principles model and enables learning precise control policies with limited amounts of real-world data. Our approach $1)$ uses the derivatives of the model to produce sample-efficient estimates of the policy gradient and $2)$ uses the model to design a low-level tracking controller, which is embedded in the policy class. Theoretical analysis provides insight into how the presence of this feedback controller overcomes key limitations of stand-alone policy gradient methods, while hardware experiments with a small car and quadruped demonstrate that our approach can learn precise control strategies reliably and with only minutes of real-world data.

Multi-armed bandits are extensively used to model sequential decision-making, making them ubiquitous in many real-life applications such as online recommender systems and wireless networking. We consider a multi-agent setting where each agent solves their own bandit instance endowed with a different set of arms. Their goal is to minimize their group regret while collaborating via some communication protocol over a given network. Previous literature on this problem only considered arm heterogeneity and networked agents separately. In this work, we introduce a setting that encompasses both features. For this novel setting, we first provide a rigorous regret analysis for a standard flooding protocol combined with the classic UCB policy. Then, to mitigate the issue of high communication costs incurred by flooding in complex networks, we propose a new protocol called Flooding with Absorption (FwA). We provide a theoretical analysis of the resulting regret bound and discuss the advantages of using FwA over flooding. Lastly, we experimentally verify on various scenarios, including dynamic networks, that FwA leads to significantly lower communication costs despite minimal regret performance loss compared to other network protocols.

In the field of reinforcement learning (RL), representation learning is a proven tool for complex image-based tasks, but is often overlooked for environments with low-level states, such as physical control problems. This paper introduces SALE, a novel approach for learning embeddings that model the nuanced interaction between state and action, enabling effective representation learning from low-level states. We extensively study the design space of these embeddings and highlight important design considerations. We integrate SALE and an adaptation of checkpoints for RL into TD3 to form the TD7 algorithm, which significantly outperforms existing continuous control algorithms. On OpenAI gym benchmark tasks, TD7 has an average performance gain of 276.7% and 50.7% over TD3 at 300k and 5M time steps, respectively, and works in both the online and offline settings.

A major driver of AI products today is the fact that new skills emerge in language models when their parameter set and training corpora are scaled up. This phenomenon is poorly understood, and a mechanistic explanation via mathematical analysis of gradient-based training seems difficult. The current paper takes a different approach, analysing emergence using the famous (and empirical) Scaling Laws of LLMs and a simple statistical framework. Contributions include: (a) A statistical framework that relates cross-entropy loss of LLMs to competence on the basic skills that underlie language tasks. (b) Mathematical analysis showing that the Scaling Laws imply a strong form of inductive bias that allows the pre-trained model to learn very efficiently. We informally call this {\em slingshot generalization} since naively viewed it appears to give competence levels at skills that violate usual generalization theory. (c) A key example of slingshot generalization, that competence at executing tasks involving $k$-tuples of skills emerges essentially at the same scaling and same rate as competence on the elementary skills themselves.

Developing and discovering new drugs is a complex and resource-intensive endeavor that often involves substantial costs, time investment, and safety concerns. A key aspect of drug discovery involves identifying novel drug-target (DT) interactions. Existing computational methods for predicting DT interactions have primarily focused on binary classification tasks, aiming to determine whether a DT pair interacts or not. However, protein-ligand interactions exhibit a continuum of binding strengths, known as binding affinity, presenting a persistent challenge for accurate prediction. In this study, we investigate various techniques employed in Drug Target Interaction (DTI) prediction and propose novel enhancements to enhance their performance. Our approaches include the integration of Protein Language Models (PLMs) and the incorporation of Contact Map information as an inductive bias within current models. Through extensive experimentation, we demonstrate that our proposed approaches outperform the baseline models considered in this study, presenting a compelling case for further development in this direction. We anticipate that the insights gained from this work will significantly narrow the search space for potential drugs targeting specific proteins, thereby accelerating drug discovery. Code and data for PGraphDTA are available at https://github.com/Yijia-Xiao/PgraphDTA/.

Manipulating objects without grasping them is an essential component of human dexterity, referred to as non-prehensile manipulation. Non-prehensile manipulation may enable more complex interactions with the objects, but also presents challenges in reasoning about gripper-object interactions. In this work, we introduce Hybrid Actor-Critic Maps for Manipulation (HACMan), a reinforcement learning approach for 6D non-prehensile manipulation of objects using point cloud observations. HACMan proposes a temporally-abstracted and spatially-grounded object-centric action representation that consists of selecting a contact location from the object point cloud and a set of motion parameters describing how the robot will move after making contact. We modify an existing off-policy RL algorithm to learn in this hybrid discrete-continuous action representation. We evaluate HACMan on a 6D object pose alignment task in both simulation and in the real world. On the hardest version of our task, with randomized initial poses, randomized 6D goals, and diverse object categories, our policy demonstrates strong generalization to unseen object categories without a performance drop, achieving an 89% success rate on unseen objects in simulation and 50% success rate with zero-shot transfer in the real world. Compared to alternative action representations, HACMan achieves a success rate more than three times higher than the best baseline. With zero-shot sim2real transfer, our policy can successfully manipulate unseen objects in the real world for challenging non-planar goals, using dynamic and contact-rich non-prehensile skills. Videos can be found on the project website: https://hacman-2023.github.io.

Whenever a clinician reflects on the efficacy of a sequence of treatment decisions for a patient, they may try to identify critical time steps where, had they made different decisions, the patient's health would have improved. While recent methods at the intersection of causal inference and reinforcement learning promise to aid human experts, as the clinician above, to retrospectively analyze sequential decision making processes, they have focused on environments with finitely many discrete states. However, in many practical applications, the state of the environment is inherently continuous in nature. In this paper, we aim to fill this gap. We start by formally characterizing a sequence of discrete actions and continuous states using finite horizon Markov decision processes and a broad class of bijective structural causal models. Building upon this characterization, we formalize the problem of finding counterfactually optimal action sequences and show that, in general, we cannot expect to solve it in polynomial time. Then, we develop a search method based on the $A^*$ algorithm that, under a natural form of Lipschitz continuity of the environment's dynamics, is guaranteed to return the optimal solution to the problem. Experiments on real clinical data show that our method is very efficient in practice, and it has the potential to offer interesting insights for sequential decision making tasks.

Learning to predict properties of large graphs is challenging because each prediction requires the knowledge of an entire graph, while the amount of memory available during training is bounded. Here we propose Graph Segment Training (GST), a general framework that utilizes a divide-and-conquer approach to allow learning large graph property prediction with a constant memory footprint. GST first divides a large graph into segments and then backpropagates through only a few segments sampled per training iteration. We refine the GST paradigm by introducing a historical embedding table to efficiently obtain embeddings for segments not sampled for backpropagation. To mitigate the staleness of historical embeddings, we design two novel techniques. First, we finetune the prediction head to fix the input distribution shift. Second, we introduce Stale Embedding Dropout to drop some stale embeddings during training to reduce bias. We evaluate our complete method GST-EFD (with all the techniques together) on two large graph property prediction benchmarks: MalNet and TpuGraphs. Our experiments show that GST-EFD is both memory-efficient and fast, while offering a slight boost on test accuracy over a typical full graph training regime.

In this work, we investigate Active Vision Reinforcement Learning (ActiveVision-RL), where an embodied agent simultaneously learns action policy for the task while also controlling its visual observations in partially observable environments. We denote the former as motor policy and the latter as sensory policy. For example, humans solve real world tasks by hand manipulation (motor policy) together with eye movements (sensory policy). ActiveVision-RL poses challenges on coordinating two policies given their mutual influence. We propose SUGARL, Sensorimotor Understanding Guided Active Reinforcement Learning, a framework that models motor and sensory policies separately, but jointly learns them using with an intrinsic sensorimotor reward. This learnable reward is assigned by sensorimotor reward module, incentivizes the sensory policy to select observations that are optimal to infer its own motor action, inspired by the sensorimotor stage of humans. Through a series of experiments, we show the effectiveness of our method across a range of observability conditions and its adaptability to existed RL algorithms. The sensory policies learned through our method are observed to exhibit effective active vision strategies.

Uncertainty quantification is crucial for the deployment of image restoration models in safety-critical domains, like autonomous driving and biological imaging. To date, methods for uncertainty visualization have mainly focused on per-pixel estimates. Yet, a heatmap of per-pixel variances is typically of little practical use, as it does not capture the strong correlations between pixels. A more natural measure of uncertainty corresponds to the variances along the principal components (PCs) of the posterior distribution. Theoretically, the PCs can be computed by applying PCA on samples generated from a conditional generative model for the input image. However, this requires generating a very large number of samples at test time, which is painfully slow with the current state-of-the-art (diffusion) models. In this work, we present a method for predicting the PCs of the posterior distribution for any input image, in a single forward pass of a neural network. Our method can either wrap around a pre-trained model that was trained to minimize the mean square error (MSE), or can be trained from scratch to output both a predicted image and the posterior PCs. We showcase our method on multiple inverse problems in imaging, including denoising, inpainting, super-resolution, and biological image-to-image translation. Our method reliably conveys instance-adaptive uncertainty directions, achieving uncertainty quantification comparable with posterior samplers while being orders of magnitude faster. Code and examples are available at https://eliasnehme.github.io/NPPC/

Zeroth-order (ZO) optimization has become a popular technique for solving machine learning (ML) problems when first-order (FO) information is difficult or impossible to obtain. However, the scalability of ZO optimization remains an open problem: Its use has primarily been limited to relatively small-scale ML problems, such as sample-wise adversarial attack generation. To our best knowledge, no prior work has demonstrated the effectiveness of ZO optimization in training deep neural networks (DNNs) without a significant decrease in performance. To overcome this roadblock, we develop DeepZero, a principled ZO deep learning (DL) framework that can scale ZO optimization to DNN training from scratch through three primary innovations. First, we demonstrate the advantages of coordinate-wise gradient estimation (CGE) over randomized vector-wise gradient estimation in training accuracy and computational efficiency. Second, we propose a sparsity-induced ZO training protocol that extends the model pruning methodology using only finite differences to explore and exploit the sparse DL prior in CGE. Third, we develop the methods of feature reuse and forward parallelization to advance the practical implementations of ZO training. Our extensive experiments show that DeepZero achieves state-of-the-art (SOTA) accuracy on ResNet-20 trained on CIFAR-10, approaching FO training performance for the first time. Furthermore, we show the practical utility of DeepZero in applications of certified adversarial defense and DL-based partial differential equation error correction, achieving 10-20% improvement over SOTA. We believe our results will inspire future research on scalable ZO optimization and contribute to advancing DL with black box.

Existing deep-learning approaches to semantic column type annotation (CTA) have important shortcomings: they rely on semantic types which are fixed at training time; require a large number of training samples per type and incur large run-time inference costs; and their performance can degrade when evaluated on novel datasets, even when types remain constant. Large language models have exhibited strong zero-shot classification performance on a wide range of tasks and in this paper we explore their use for CTA. We introduce ArcheType, a simple, practical method for context sampling, prompt serialization, model querying, and label remapping, which enables large language models to solve CTA problems in a fully zero-shot manner. We ablate each component of our method separately, and establish that improvements to context sampling and label remapping provide the most consistent gains. ArcheType establishes a new state-of-the-art performance on zero-shot CTA benchmarks (including three new domain-specific benchmarks which we release along with this paper), and when used in conjunction with classical CTA techniques, it outperforms a SOTA DoDuo model on the fine-tuned SOTAB benchmark. Our code is available at https://github.com/penfever/ArcheType.

Modern policy optimization methods in reinforcement learning, such as TRPO and PPO, owe their success to the use of parameterized policies. However, while theoretical guarantees have been established for this class of algorithms, especially in the tabular setting, the use of general parameterization schemes remains mostly unjustified. In this work, we introduce a novel framework for policy optimization based on mirror descent that naturally accommodates general parameterizations. The policy class induced by our scheme recovers known classes, e.g., softmax, and generates new ones depending on the choice of mirror map. Using our framework, we obtain the first result that guarantees linear convergence for a policy-gradient-based method involving general parameterization. To demonstrate the ability of our framework to accommodate general parameterization schemes, we provide its sample complexity when using shallow neural networks, show that it represents an improvement upon the previous best results, and empirically validate the effectiveness of our theoretical claims on classic control tasks.

Recent studies on transformer-based language models show that they can answer questions by reasoning over knowledge provided as part of the context (i.e., in-context reasoning). However, since the available knowledge is often not filtered for a particular question, in-context reasoning can be sensitive to distractor facts, additional content that is irrelevant to a question but that may be relevant for a different question (i.e., not necessarily random noise). In these situations, the model fails to distinguish the knowledge that is necessary to answer the question, leading to spurious reasoning and degraded performance. This reasoning failure contrasts with the model's apparent ability to distinguish its contextual knowledge from all the knowledge it has memorized during pre-training. Following this observation, we propose teaching the model to reason more robustly by folding the provided contextual knowledge into the model's parameters before presenting it with a question. Our method, RECKONING, is a bi-level learning algorithm that teaches language models to reason by updating their parametric knowledge through back-propagation, allowing them to then answer questions using the updated parameters. During training, the inner loop rapidly adapts a copy of the model weights to encode contextual knowledge into its parameters. In the outer loop, the model learns to use the updated weights to reproduce and answer reasoning questions about the memorized knowledge. Our experiments on two multi-hop reasoning datasets show that RECKONING's performance improves over the in-context reasoning baseline (by up to 4.5%). We also find that compared to in-context reasoning, RECKONING generalizes better to longer reasoning chains unseen during training, is more robust to distractors in the context, and is more computationally efficient when multiple questions are asked about the same knowledge.

Text-attributed graphs (TAGs) are prevalent on the web and research over TAGs such as citation networks, e-commerce networks and social networks has attracted considerable attention in the web community. Recently, large language models (LLMs) have demonstrated exceptional capabilities across a wide range of tasks. However, the existing works focus on harnessing the potential of LLMs solely relying on prompts to convey graph structure information to LLMs, thus suffering from insufficient understanding of the complex structural relationships within TAGs. To address this problem, in this paper we present the Disentangled Graph-Text Learner (DGTL) model, which is able to enhance the reasoning and predicting capabilities of LLMs for TAGs. Our proposed DGTL model incorporates graph structure information through tailored disentangled graph neural network (GNN) layers, enabling LLMs to capture the intricate relationships hidden in text-attributed graphs from multiple structural factors. Furthermore, DGTL operates with frozen pre-trained LLMs, reducing computational costs and allowing much more flexibility in combining with different LLM models. Experimental evaluations demonstrate the effectiveness of the proposed DGTL model on achieving superior or comparable performance over state-of-the-art baselines. Additionally, we also demonstrate that our DGTL model can offer natural language explanations for predictions, thereby significantly enhancing model interpretability.

Crops hold paramount significance as they serve as the primary provider of energy, nutrition, and medicinal benefits for the human population. Plant diseases, however, can negatively affect leaves during agricultural cultivation, resulting in significant losses in crop output and economic value. Therefore, it is crucial for farmers to identify crop diseases. However, this method frequently necessitates hard work, a lot of planning, and in-depth familiarity with plant pathogens. Given these numerous obstacles, it is essential to provide solutions that can easily interface with mobile and IoT devices so that our farmers can guarantee the best possible crop development. Various machine learning (ML) as well as deep learning (DL) algorithms have been created & studied for the identification of plant disease detection, yielding substantial and promising results. This article presents a novel classification method that builds on prior work by utilising attention-based feature extraction, RGB channel-based chromatic analysis, Support Vector Machines (SVM) for improved performance, and the ability to integrate with mobile applications and IoT devices after quantization of information. Several disease classification algorithms were compared with the suggested model, and it was discovered that, in terms of accuracy, Vision Transformer-based feature extraction and additional Green Chromatic Coordinate feature with SVM classification achieved an accuracy of (GCCViT-SVM) - 99.69%, whereas after quantization for IoT device integration achieved an accuracy of - 97.41% while almost reducing 4x in size. Our findings have profound implications because they have the potential to transform how farmers identify crop illnesses with precise and fast information, thereby preserving agricultural output and ensuring food security.

We study social learning dynamics motivated by reviews on online platforms. The agents collectively follow a simple multi-armed bandit protocol, but each agent acts myopically, without regards to exploration. We allow a wide range of myopic behaviors that are consistent with (parameterized) confidence intervals for the arms' expected rewards. We derive stark learning failures for any such behavior, and provide matching positive results. As a special case, we obtain the first general results on failure of the greedy algorithm in bandits, thus providing a theoretical foundation for why bandit algorithms should explore.

Most humans use visual imagination to understand and reason about language, but models such as BERT reason about language using knowledge acquired during text-only pretraining. In this work, we investigate whether vision-and-language pretraining can improve performance on text-only tasks that involve implicit visual reasoning, focusing primarily on zero-shot probing methods. We propose a suite of visual language understanding (VLU) tasks for probing the visual reasoning abilities of text encoder models, as well as various non-visual natural language understanding (NLU) tasks for comparison. We also contribute a novel zero-shot knowledge probing method, Stroop probing, for applying models such as CLIP to text-only tasks without needing a prediction head such as the masked language modelling head of models like BERT. We show that SOTA multimodally trained text encoders outperform unimodally trained text encoders on the VLU tasks while being underperformed by them on the NLU tasks, lending new context to previously mixed results regarding the NLU capabilities of multimodal models. We conclude that exposure to images during pretraining affords inherent visual reasoning knowledge that is reflected in language-only tasks that require implicit visual reasoning. Our findings bear importance in the broader context of multimodal learning, providing principled guidelines for the choice of text encoders used in such contexts.

We propose EB-TC$\varepsilon$, a novel sampling rule for $\varepsilon$-best arm identification in stochastic bandits. It is the first instance of Top Two algorithm analyzed for approximate best arm identification. EB-TC$\varepsilon$ is an *anytime* sampling rule that can therefore be employed without modification for fixed confidence or fixed budget identification (without prior knowledge of the budget). We provide three types of theoretical guarantees for EB-TC$\varepsilon$. First, we prove bounds on its expected sample complexity in the fixed confidence setting, notably showing its asymptotic optimality in combination with an adaptive tuning of its exploration parameter. We complement these findings with upper bounds on its probability of error at any time and for any error parameter, which further yield upper bounds on its simple regret at any time. Finally, we show through numerical simulations that EB-TC$\varepsilon$ performs favorably compared to existing algorithms, in different settings.

Interactions between road agents present a significant challenge in trajectory prediction, especially in cases involving multiple agents. Because existing diversity-aware predictors do not account for the interactive nature of multi-agent predictions, they may miss these important interaction outcomes. In this paper, we propose NashFormer, a framework for trajectory prediction that leverages game-theoretic inverse reinforcement learning to improve coverage of multi-modal predictions. We use a training-time game-theoretic analysis as an auxiliary loss resulting in improved coverage and accuracy without presuming a taxonomy of actions for the agents. We demonstrate our approach on the interactive split of the Waymo Open Motion Dataset, including four subsets involving scenarios with high interaction complexity. Experiment results show that our predictor produces accurate predictions while covering $33\%$ more potential interactions versus a baseline model.

Along with the proliferation of electric vehicles (EVs), optimizing the use of EV charging space can significantly alleviate the growing load on intelligent transportation systems. As the foundation to achieve such an optimization, a spatiotemporal method for EV charging demand prediction in urban areas is required. Although several solutions have been proposed by using data-driven deep learning methods, it can be found that these performance-oriented methods may suffer from misinterpretations to correctly handle the reverse relationship between charging demands and prices. To tackle the emerging challenges of training an accurate and interpretable prediction model, this paper proposes a novel approach that enables the integration of graph and temporal attention mechanisms for feature extraction and the usage of physic-informed meta-learning in the model pre-training step for knowledge transfer. Evaluation results on a dataset of 18,013 EV charging piles in Shenzhen, China, show that the proposed approach, named PAG, can achieve state-of-the-art forecasting performance and the ability in understanding the adaptive changes in charging demands caused by price fluctuations.

Wasserstein distributionally robust estimators have emerged as powerful models for prediction and decision-making under uncertainty. These estimators provide attractive generalization guarantees: the robust objective obtained from the training distribution is an exact upper bound on the true risk with high probability. However, existing guarantees either suffer from the curse of dimensionality, are restricted to specific settings, or lead to spurious error terms. In this paper, we show that these generalization guarantees actually hold on general classes of models, do not suffer from the curse of dimensionality, and can even cover distribution shifts at testing. We also prove that these results carry over to the newly-introduced regularized versions of Wasserstein distributionally robust problems.

Recent hybrid models combining Linear State Space Models (SSMs) with self-attention mechanisms have demonstrated impressive results across a range of sequence modeling tasks. However, current approaches apply attention modules statically and uniformly to all elements in the input sequences, leading to sub-optimal quality-efficiency trade-offs. To address this limitation, we introduce Sparse Modular Activation (SMA), a general mechanism enabling neural networks to sparsely and dynamically activate sub-modules for sequence elements in a differentiable manner. Through allowing each element to skip non-activated sub-modules, SMA reduces computation and memory consumption of neural networks at both training and inference stages. To validate the effectiveness of SMA on sequence modeling, we design a novel neural architecture, SeqBoat, which employs SMA to sparsely activate a Gated Attention Unit (GAU) based on the state representations learned from an SSM. By constraining the GAU to only conduct local attention on the activated inputs, SeqBoat can achieve linear inference complexity with theoretically infinite attention span, and provide substantially better quality-efficiency trade-off than the chunking-based models. With experiments on a wide range of tasks, including long sequence modeling, speech classification and language modeling, SeqBoat brings new state-of-the-art results among hybrid models with linear complexity, and reveals the amount of attention needed for each task through the learned sparse activation patterns. Our code is publicly available at https://github.com/renll/SeqBoat.

Fusion-in-Decoder (FiD) is an effective retrieval-augmented language model applied across a variety of open-domain tasks, such as question answering, fact checking, etc. In FiD, supporting passages are first retrieved and then processed using a generative model (Reader), which can cause a significant bottleneck in decoding time, particularly with long outputs. In this work, we analyze the contribution and necessity of all the retrieved passages to the performance of reader models, and propose eliminating some of the retrieved information, at the token level, that might not contribute essential information to the answer generation process. We demonstrate that our method can reduce run-time by up to 62.2%, with only a 2% reduction in performance, and in some cases, even improve the performance results.

Inspired by the traditional partial differential equation (PDE) approach for image denoising, we propose a novel neural network architecture, referred as NODE-ImgNet, that combines neural ordinary differential equations (NODEs) with convolutional neural network (CNN) blocks. NODE-ImgNet is intrinsically a PDE model, where the dynamic system is learned implicitly without the explicit specification of the PDE. This naturally circumvents the typical issues associated with introducing artifacts during the learning process. By invoking such a NODE structure, which can also be viewed as a continuous variant of a residual network (ResNet) and inherits its advantage in image denoising, our model achieves enhanced accuracy and parameter efficiency. In particular, our model exhibits consistent effectiveness in different scenarios, including denoising gray and color images perturbed by Gaussian noise, as well as real-noisy images, and demonstrates superiority in learning from small image datasets.

We propose a novel interpretable deep neural network for text classification, called ProtoryNet, based on a new concept of prototype trajectories. Motivated by the prototype theory in modern linguistics, ProtoryNet makes a prediction by finding the most similar prototype for each sentence in a text sequence and feeding an RNN backbone with the proximity of each sentence to the corresponding active prototype. The RNN backbone then captures the temporal pattern of the prototypes, which we refer to as prototype trajectories. Prototype trajectories enable intuitive and fine-grained interpretation of the reasoning process of the RNN model, in resemblance to how humans analyze texts. We also design a prototype pruning procedure to reduce the total number of prototypes used by the model for better interpretability. Experiments on multiple public data sets show that ProtoryNet is more accurate than the baseline prototype-based deep neural net and reduces the performance gap compared to state-of-the-art black-box models. In addition, after prototype pruning, the resulting ProtoryNet models only need less than or around 20 prototypes for all datasets, which significantly benefits interpretability. Furthermore, we report a survey result indicating that human users find ProtoryNet more intuitive and easier to understand than other prototype-based methods.

A common assumption in causal inference from observational data is that there is no hidden confounding. Yet it is, in general, impossible to verify this assumption from a single dataset. Under the assumption of independent causal mechanisms underlying the data-generating process, we demonstrate a way to detect unobserved confounders when having multiple observational datasets coming from different environments. We present a theory for testable conditional independencies that are only absent when there is hidden confounding and examine cases where we violate its assumptions: degenerate & dependent mechanisms, and faithfulness violations. Additionally, we propose a procedure to test these independencies and study its empirical finite-sample behavior using simulation studies and semi-synthetic data based on a real-world dataset. In most cases, the proposed procedure correctly predicts the presence of hidden confounding, particularly when the confounding bias is large.

The major challenge of offline RL is the distribution shift that appears when out-of-distribution actions are queried, which makes the policy improvement direction biased by extrapolation errors. Most existing methods address this problem by penalizing the policy or value for deviating from the behavior policy during policy improvement or evaluation. In this work, we propose a novel MISA framework to approach offline RL from the perspective of Mutual Information between States and Actions in the dataset by directly constraining the policy improvement direction. MISA constructs lower bounds of mutual information parameterized by the policy and Q-values. We show that optimizing this lower bound is equivalent to maximizing the likelihood of a one-step improved policy on the offline dataset. Hence, we constrain the policy improvement direction to lie in the data manifold. The resulting algorithm simultaneously augments the policy evaluation and improvement by adding mutual information regularizations. MISA is a general framework that unifies conservative Q-learning (CQL) and behavior regularization methods (e.g., TD3+BC) as special cases. We introduce 3 different variants of MISA, and empirically demonstrate that tighter mutual information lower bound gives better offline RL performance. In addition, our extensive experiments show MISA significantly outperforms a wide range of baselines on various tasks of the D4RL benchmark,e.g., achieving 742.9 total points on gym-locomotion tasks. Our code is available at https://github.com/sail-sg/MISA.

Test log-likelihood is commonly used to compare different models of the same data or different approximate inference algorithms for fitting the same probabilistic model. We present simple examples demonstrating how comparisons based on test log-likelihood can contradict comparisons according to other objectives. Specifically, our examples show that (i) approximate Bayesian inference algorithms that attain higher test log-likelihoods need not also yield more accurate posterior approximations and (ii) conclusions about forecast accuracy based on test log-likelihood comparisons may not agree with conclusions based on root mean squared error.

The performance limit of Graph Convolutional Networks (GCNs) and the fact that we cannot stack more of them to increase the performance, which we usually do for other deep learning paradigms, are pervasively thought to be caused by the limitations of the GCN layers, including insufficient expressive power, etc. However, if so, for a fixed architecture, it would be unlikely to lower the training difficulty and to improve performance by changing only the training procedure, which we show in this paper not only possible but possible in several ways. This paper first identify the training difficulty of GCNs from the perspective of graph signal energy loss. More specifically, we find that the loss of energy in the backward pass during training nullifies the learning of the layers closer to the input. Then, we propose several methodologies to mitigate the training problem by slightly modifying the GCN operator, from the energy perspective. After empirical validation, we confirm that these changes of operator lead to significant decrease in the training difficulties and notable performance boost, without changing the composition of parameters. With these, we conclude that the root cause of the problem is more likely the training difficulty than the others.

The amount of training-data is one of the key factors which determines the generalization capacity of learning algorithms. Intuitively, one expects the error rate to decrease as the amount of training-data increases. Perhaps surprisingly, natural attempts to formalize this intuition give rise to interesting and challenging mathematical questions. For example, in their classical book on pattern recognition, Devroye, Gyorfi, and Lugosi (1996) ask whether there exists a {monotone} Bayes-consistent algorithm. This question remained open for over 25 years, until recently Pestov (2021) resolved it for binary classification, using an intricate construction of a monotone Bayes-consistent algorithm. We derive a general result in multiclass classification, showing that every learning algorithm A can be transformed to a monotone one with similar performance. Further, the transformation is efficient and only uses a black-box oracle access to A. This demonstrates that one can provably avoid non-monotonic behaviour without compromising performance, thus answering questions asked by Devroye et al (1996), Viering, Mey, and Loog (2019), Viering and Loog (2021), and by Mhammedi (2021). Our transformation readily implies monotone learners in a variety of contexts: for example it extends Pestov's result to classification tasks with an arbitrary number of labels. This is in contrast with Pestov's work which is tailored to binary classification. In addition, we provide uniform bounds on the error of the monotone algorithm. This makes our transformation applicable in distribution-free settings. For example, in PAC learning it implies that every learnable class admits a monotone PAC learner. This resolves questions by Viering, Mey, and Loog (2019); Viering and Loog (2021); Mhammedi (2021).

We suggest a novel procedure for online change point detection. Our approach expands an idea of maximizing a discrepancy measure between points from pre-change and post-change distributions. This leads to a flexible procedure suitable for both parametric and nonparametric scenarios. We prove non-asymptotic bounds on the average running length of the procedure and its expected detection delay. The efficiency of the algorithm is illustrated with numerical experiments on synthetic and real-world data sets.

Data reconstruction of rotating turbulent snapshots is investigated utilizing data-driven tools. This problem is crucial for numerous geophysical applications and fundamental aspects, given the concurrent effects of direct and inverse energy cascades, which lead to non-Gaussian statistics at both large and small scales. Data assimilation also serves as a tool to rank physical features within turbulence, by evaluating the performance of reconstruction in terms of the quality and quantity of the information used. Additionally, benchmarking various reconstruction techniques is essential to assess the trade-off between quantitative supremacy, implementation complexity, and explicability. In this study, we use linear and non-linear tools based on the Proper Orthogonal Decomposition (POD) and Generative Adversarial Network (GAN) for reconstructing rotating turbulence snapshots with spatial damages (inpainting). We focus on accurately reproducing both statistical properties and instantaneous velocity fields. Different gap sizes and gap geometries are investigated in order to assess the importance of coherency and multi-scale properties of the missing information. Surprisingly enough, concerning point-wise reconstruction, the non-linear GAN does not outperform one of the linear POD techniques. On the other hand, supremacy of the GAN approach is shown when the statistical multi-scale properties are compared. Similarly, extreme events in the gap region are better predicted when using GAN. The balance between point-wise error and statistical properties is controlled by the adversarial ratio, which determines the relative importance of the generator and the discriminator in the GAN training. Robustness against the measurement noise is also discussed.

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically distributed (i.i.d.) samples. Though GNNs are believed to outperform basic NNs in real-world tasks, it is found that in some cases, GNNs have little performance gain or even underperform graph-agnostic NNs. To identify these cases, based on graph signal processing and statistical hypothesis testing, we propose two measures which analyze the cases in which the edge bias in features and labels does not provide advantages. Based on the measures, a threshold value can be given to predict the potential performance advantages of graph-aware models over graph-agnostic models.

We study reinforcement learning (RL) with linear function approximation. For episodic time-inhomogeneous linear Markov decision processes (linear MDPs) whose transition probability can be parameterized as a linear function of a given feature mapping, we propose the first computationally efficient algorithm that achieves the nearly minimax optimal regret $\tilde O(d\sqrt{H^3K})$, where $d$ is the dimension of the feature mapping, $H$ is the planning horizon, and $K$ is the number of episodes. Our algorithm is based on a weighted linear regression scheme with a carefully designed weight, which depends on a new variance estimator that (1) directly estimates the variance of the optimal value function, (2) monotonically decreases with respect to the number of episodes to ensure a better estimation accuracy, and (3) uses a rare-switching policy to update the value function estimator to control the complexity of the estimated value function class. Our work provides a complete answer to optimal RL with linear MDPs, and the developed algorithm and theoretical tools may be of independent interest.

In the era of large scale pretrained models, Knowledge Distillation (KD) serves an important role in transferring the wisdom of computationally heavy teacher models to lightweight, efficient student models while preserving performance. Traditional KD paradigms, however, assume readily available access to teacher models for frequent inference -- a notion increasingly at odds with the realities of costly, often proprietary, large scale models. Addressing this gap, our paper considers how to minimize the dependency on teacher model inferences in KD in a setting we term Few Teacher Inference Knowledge Distillation (FTI KD). We observe that prevalent KD techniques and state of the art data augmentation strategies fall short in this constrained setting. Drawing inspiration from educational principles that emphasize learning through comparison, we propose Comparative Knowledge Distillation (CKD), which encourages student models to understand the nuanced differences in a teacher model's interpretations of samples. Critically, CKD provides additional learning signals to the student without making additional teacher calls. We also extend the principle of CKD to groups of samples, enabling even more efficient learning from limited teacher calls. Empirical evaluation across varied experimental settings indicates that CKD consistently outperforms state of the art data augmentation and KD techniques.

We investigate the ability of transformer models to approximate the CKY algorithm, using them to directly predict a sentence's parse and thus avoid the CKY algorithm's cubic dependence on sentence length. We find that on standard constituency parsing benchmarks this approach achieves competitive or better performance than comparable parsers that make use of CKY, while being faster. We also evaluate the viability of this approach for parsing under \textit{random} PCFGs. Here we find that performance declines as the grammar becomes more ambiguous, suggesting that the transformer is not fully capturing the CKY computation. However, we also find that incorporating additional inductive bias is helpful, and we propose a novel approach that makes use of gradients with respect to chart representations in predicting the parse, in analogy with the CKY algorithm being a subgradient of a partition function variant with respect to the chart.

Modern recommender systems perform large-scale retrieval by first embedding queries and item candidates in the same unified space, followed by approximate nearest neighbor search to select top candidates given a query embedding. In this paper, we propose a novel generative retrieval approach, where the retrieval model autoregressively decodes the identifiers of the target candidates. To that end, we create semantically meaningful tuple of codewords to serve as a Semantic ID for each item. Given Semantic IDs for items in a user session, a Transformer-based sequence-to-sequence model is trained to predict the Semantic ID of the next item that the user will interact with. To the best of our knowledge, this is the first Semantic ID-based generative model for recommendation tasks. We show that recommender systems trained with the proposed paradigm significantly outperform the current SOTA models on various datasets. In addition, we show that incorporating Semantic IDs into the sequence-to-sequence model enhances its ability to generalize, as evidenced by the improved retrieval performance observed for items with no prior interaction history.

Regularized linear regression is a promising approach for binary classification problems in which the training set has noisy labels since the regularization term can help to avoid interpolating the mislabeled data points. In this paper we provide a systematic study of the effects of the regularization strength on the performance of linear classifiers that are trained to solve binary classification problems by minimizing a regularized least-squares objective. We consider the over-parametrized regime and assume that the classes are generated from a Gaussian Mixture Model (GMM) where a fraction $c<\frac{1}{2}$ of the training data is mislabeled. Under these assumptions, we rigorously analyze the classification errors resulting from the application of ridge, $\ell_1$, and $\ell_\infty$ regression. In particular, we demonstrate that ridge regression invariably improves the classification error. We prove that $\ell_1$ regularization induces sparsity and observe that in many cases one can sparsify the solution by up to two orders of magnitude without any considerable loss of performance, even though the GMM has no underlying sparsity structure. For $\ell_\infty$ regularization we show that, for large enough regularization strength, the optimal weights concentrate around two values of opposite sign. We observe that in many cases the corresponding "compression" of each weight to a single bit leads to very little loss in performance. These latter observations can have significant practical ramifications.

Melanoma diagnosed and treated in its early stages can increase the survival rate. A projected increase in skin cancer incidents and a dearth of dermatopathologists have emphasized the need for computational pathology (CPATH) systems. CPATH systems with deep learning (DL) models have the potential to identify the presence of melanoma by exploiting underlying morphological and cellular features. This paper proposes a DL method to detect melanoma and distinguish between normal skin and benign/malignant melanocytic lesions in Whole Slide Images (WSI). Our method detects lesions with high accuracy and localizes them on a WSI to identify potential regions of interest for pathologists. Interestingly, our DL method relies on using a single CNN network to create localization maps first and use them to perform slide-level predictions to determine patients who have melanoma. Our best model provides favorable patch-wise classification results with a 0.992 F1 score and 0.99 sensitivity on unseen data. The source code is https://github.com/RogerAmundsen/Melanoma-Diagnosis-and-Localization-from-Whole-Slide-Images-using-Convolutional-Neural-Networks.

A class of generative models that unifies flow-based and diffusion-based methods is introduced. These models extend the framework proposed in Albergo & Vanden-Eijnden (2023), enabling the use of a broad class of continuous-time stochastic processes called `stochastic interpolants' to bridge any two arbitrary probability density functions exactly in finite time. These interpolants are built by combining data from the two prescribed densities with an additional latent variable that shapes the bridge in a flexible way. The time-dependent probability density function of the stochastic interpolant is shown to satisfy a first-order transport equation as well as a family of forward and backward Fokker-Planck equations with tunable diffusion coefficient. Upon consideration of the time evolution of an individual sample, this viewpoint immediately leads to both deterministic and stochastic generative models based on probability flow equations or stochastic differential equations with an adjustable level of noise. The drift coefficients entering these models are time-dependent velocity fields characterized as the unique minimizers of simple quadratic objective functions, one of which is a new objective for the score of the interpolant density. We show that minimization of these quadratic objectives leads to control of the likelihood for generative models built upon stochastic dynamics, while likelihood control for deterministic dynamics is more stringent. We also discuss connections with other methods such as score-based diffusion models, stochastic localization processes, probabilistic denoising techniques, and rectifying flows. In addition, we demonstrate that stochastic interpolants recover the Schr\"odinger bridge between the two target densities when explicitly optimizing over the interpolant. Finally, algorithmic aspects are discussed and the approach is illustrated on numerical examples.

Graph Convolutional Networks (GCNs) have emerged as powerful tools for learning on network structured data. Although empirically successful, GCNs exhibit certain behaviour that has no rigorous explanation -- for instance, the performance of GCNs significantly degrades with increasing network depth, whereas it improves marginally with depth using skip connections. This paper focuses on semi-supervised learning on graphs, and explains the above observations through the lens of Neural Tangent Kernels (NTKs). We derive NTKs corresponding to infinitely wide GCNs (with and without skip connections). Subsequently, we use the derived NTKs to identify that, with suitable normalisation, network depth does not always drastically reduce the performance of GCNs -- a fact that we also validate through extensive simulation. Furthermore, we propose NTK as an efficient `surrogate model' for GCNs that does not suffer from performance fluctuations due to hyper-parameter tuning since it is a hyper-parameter free deterministic kernel. The efficacy of this idea is demonstrated through a comparison of different skip connections for GCNs using the surrogate NTKs.

In practice, encoding invariances into models improves sample complexity. In this work, we study this phenomenon from a theoretical perspective. In particular, we provide minimax optimal rates for kernel ridge regression on compact manifolds, with a target function that is invariant to a group action on the manifold. Our results hold for any smooth compact Lie group action, even groups of positive dimension. For a finite group, the gain effectively multiplies the number of samples by the group size. For groups of positive dimension, the gain is observed by a reduction in the manifold's dimension, in addition to a factor proportional to the volume of the quotient space. Our proof takes the viewpoint of differential geometry, in contrast to the more common strategy of using invariant polynomials. This new geometric viewpoint on learning with invariances may be of independent interest.

Recent studies in reinforcement learning (RL) have made significant progress by leveraging function approximation to alleviate the sample complexity hurdle for better performance. Despite the success, existing provably efficient algorithms typically rely on the accessibility of immediate feedback upon taking actions. The failure to account for the impact of delay in observations can significantly degrade the performance of real-world systems due to the regret blow-up. In this work, we tackle the challenge of delayed feedback in RL with linear function approximation by employing posterior sampling, which has been shown to empirically outperform the popular UCB algorithms in a wide range of regimes. We first introduce Delayed-PSVI, an optimistic value-based algorithm that effectively explores the value function space via noise perturbation with posterior sampling. We provide the first analysis for posterior sampling algorithms with delayed feedback in RL and show our algorithm achieves $\widetilde{O}(\sqrt{d^3H^3 T} + d^2H^2 E[\tau])$ worst-case regret in the presence of unknown stochastic delays. Here $E[\tau]$ is the expected delay. To further improve its computational efficiency and to expand its applicability in high-dimensional RL problems, we incorporate a gradient-based approximate sampling scheme via Langevin dynamics for Delayed-LPSVI, which maintains the same order-optimal regret guarantee with $\widetilde{O}(dHK)$ computational cost. Empirical evaluations are performed to demonstrate the statistical and computational efficacy of our algorithms.

This paper presents a novel supervised convolutional neural network architecture, "DUCK-Net", capable of effectively learning and generalizing from small amounts of medical images to perform accurate segmentation tasks. Our model utilizes an encoder-decoder structure with a residual downsampling mechanism and a custom convolutional block to capture and process image information at multiple resolutions in the encoder segment. We employ data augmentation techniques to enrich the training set, thus increasing our model's performance. While our architecture is versatile and applicable to various segmentation tasks, in this study, we demonstrate its capabilities specifically for polyp segmentation in colonoscopy images. We evaluate the performance of our method on several popular benchmark datasets for polyp segmentation, Kvasir-SEG, CVC-ClinicDB, CVC-ColonDB, and ETIS-LARIBPOLYPDB showing that it achieves state-of-the-art results in terms of mean Dice coefficient, Jaccard index, Precision, Recall, and Accuracy. Our approach demonstrates strong generalization capabilities, achieving excellent performance even with limited training data. The code is publicly available on GitHub: https://github.com/RazvanDu/DUCK-Net

Over the recent years, reinforcement learning (RL) starts to show promising results in tackling combinatorial optimization (CO) problems, in particular when coupled with curriculum learning to facilitate training. Despite emerging empirical evidence, theoretical study on why RL helps is still at its early stage. This paper presents the first systematic study on policy optimization methods for online CO problems. We show that online CO problems can be naturally formulated as latent Markov Decision Processes (LMDPs), and prove convergence bounds on natural policy gradient (NPG) for solving LMDPs. Furthermore, our theory explains the benefit of curriculum learning: it can find a strong sampling policy and reduce the distribution shift, a critical quantity that governs the convergence rate in our theorem. For a canonical online CO problem, the Best Choice Problem (BCP), we formally prove that distribution shift is reduced exponentially with curriculum learning even if the curriculum is a randomly generated BCP on a smaller scale. Our theory also shows we can simplify the curriculum learning scheme used in prior work from multi-step to single-step. Lastly, we provide extensive experiments on the Best Choice Problem, Online Knapsack, and AdWords to verify our findings.

Transfer learning enables the sharing of common knowledge among models for a variety of downstream tasks, but traditional methods suffer in limited training data settings and produce narrow models incapable of effectively generalizing under distribution shifts. Foundation models have recently demonstrated impressive zero-shot inference capabilities and robustness under distribution shifts. However, zero-shot evaluation for these models has been predominantly confined to benchmarks with simple distribution shifts, limiting our understanding of their effectiveness under the more realistic shifts found in practice. Moreover, common fine-tuning methods for these models have yet to be evaluated against vision models in few-shot scenarios where training data is limited. To address these gaps, we present a new recipe for few-shot fine-tuning of the popular vision-language foundation model CLIP and evaluate its performance on challenging benchmark datasets with realistic distribution shifts from the WILDS collection. Our experimentation demonstrates that, while zero-shot CLIP fails to match performance of trained vision models on more complex benchmarks, few-shot CLIP fine-tuning outperforms its vision-only counterparts in terms of in-distribution and out-of-distribution accuracy at all levels of training data availability. This provides a strong incentive for adoption of foundation models within few-shot learning applications operating with real-world data. Code is available at https://github.com/mit-ll/robust-vision-language-finetuning

The study of ground reaction forces (GRF) is used to characterize the mechanical loading experienced by individuals in movements such as running, which is clinically applicable to identify athletes at risk for stress-related injuries. Our aim in this paper is to determine if data collected with inertial measurement units (IMUs), that can be worn by athletes during outdoor runs, can be used to predict GRF with sufficient accuracy to allow the analysis of its derived biomechanical variables (e.g., contact time and loading rate). In this paper, we consider lightweight approaches in contrast to state-of-the-art prediction using LSTM neural networks. Specifically, we compare use of LSTMs to k-Nearest Neighbors (KNN) regression as well as propose a novel solution, SVD Embedding Regression (SER), using linear regression between singular value decomposition embeddings of IMUs data (input) and GRF data (output). We evaluate the accuracy of these techniques when using training data collected from different athletes, from the same athlete, or both, and we explore the use of acceleration and angular velocity data from sensors at different locations (sacrum and shanks). Our results illustrate that simple machine learning methods such as SER and KNN can be similarly accurate or more accurate than LSTM neural networks, with much faster training times and hyperparameter optimization; in particular, SER and KNN are more accurate when personal training data are available, and KNN comes with benefit of providing provenance of prediction. Notably, the use of personal data reduces prediction errors of all methods for most biomechanical variables.

Nonnegative matrix factorization (NMF) is widely used for clustering with strong interpretability. Among general NMF problems, symmetric NMF is a special one that plays an important role in graph clustering where each element measures the similarity between data points. Most existing symmetric NMF algorithms require factor matrices to be nonnegative, and only focus on minimizing the gap between similarity matrix and its approximation for clustering, without giving a consideration to other potential regularization terms which can yield better clustering. In this paper, we explore factorizing a symmetric matrix that does not have to be nonnegative, presenting an efficient factorization algorithm with a regularization term to boost the clustering performance. Moreover, a more general framework is proposed to solve symmetric matrix factorization problems with different constraints on the factor matrices.

Reinforcement Learning(RL) in the context of safe exploration has long grappled with the challenges of the delicate balance between maximizing rewards and minimizing safety violations, the complexities arising from contact-rich or non-smooth environments, and high-dimensional pixel observations. Furthermore, incorporating state-wise safety constraints in the exploration and learning process, where the agent is prohibited from accessing unsafe regions without prior knowledge, adds an additional layer of complexity. In this paper, we propose a novel pixel-observation safe RL algorithm that efficiently encodes state-wise safety constraints with unknown hazard regions through the introduction of a latent barrier function learning mechanism. As a joint learning framework, our approach first involves constructing a latent dynamics model with low-dimensional latent spaces derived from pixel observations. Subsequently, we build and learn a latent barrier function on top of the latent dynamics and conduct policy optimization simultaneously, thereby improving both safety and the total expected return. Experimental evaluations on the safety-gym benchmark suite demonstrate that our proposed method significantly reduces safety violations throughout the training process and demonstrates faster safety convergence compared to existing methods while achieving competitive results in reward return.

The integrity of training data, even when annotated by experts, is far from guaranteed, especially for non-IID datasets comprising both in- and out-of-distribution samples. In an ideal scenario, the majority of samples would be in-distribution, while samples that deviate semantically would be identified as out-of-distribution and excluded during the annotation process. However, experts may erroneously classify these out-of-distribution samples as in-distribution, assigning them labels that are inherently unreliable. This mixture of unreliable labels and varied data types makes the task of learning robust neural networks notably challenging. We observe that both in- and out-of-distribution samples can almost invariably be ruled out from belonging to certain classes, aside from those corresponding to unreliable ground-truth labels. This opens the possibility of utilizing reliable complementary labels that indicate the classes to which a sample does not belong. Guided by this insight, we introduce a novel approach, termed \textit{Gray Learning} (GL), which leverages both ground-truth and complementary labels. Crucially, GL adaptively adjusts the loss weights for these two label types based on prediction confidence levels. By grounding our approach in statistical learning theory, we derive bounds for the generalization error, demonstrating that GL achieves tight constraints even in non-IID settings. Extensive experimental evaluations reveal that our method significantly outperforms alternative approaches grounded in robust statistics.

Modern deep learning models with great expressive power can be trained to overfit the training data but still generalize well. This phenomenon is referred to as \textit{benign overfitting}. Recently, a few studies have attempted to theoretically understand benign overfitting in neural networks. However, these works are either limited to neural networks with smooth activation functions or to the neural tangent kernel regime. How and when benign overfitting can occur in ReLU neural networks remains an open problem. In this work, we seek to answer this question by establishing algorithm-dependent risk bounds for learning two-layer ReLU convolutional neural networks with label-flipping noise. We show that, under mild conditions, the neural network trained by gradient descent can achieve near-zero training loss and Bayes optimal test risk. Our result also reveals a sharp transition between benign and harmful overfitting under different conditions on data distribution in terms of test risk. Experiments on synthetic data back up our theory.

In human-written articles, we often leverage the subtleties of text style, such as bold and italics, to guide the attention of readers. These textual emphases are vital for the readers to grasp the conveyed information. When interacting with large language models (LLMs), we have a similar need - steering the model to pay closer attention to user-specified information, e.g., an instruction. Existing methods, however, are constrained to process plain text and do not support such a mechanism. This motivates us to introduce PASTA - Post-hoc Attention STeering Approach, a method that allows LLMs to read text with user-specified emphasis marks. To this end, PASTA identifies a small subset of attention heads and applies precise attention reweighting on them, directing the model attention to user-specified parts. Like prompting, PASTA is applied at inference time and does not require changing any model parameters. Experiments demonstrate that PASTA can substantially enhance an LLM's ability to follow user instructions or integrate new knowledge from user inputs, leading to a significant performance improvement on a variety of tasks, e.g., an average accuracy improvement of 22% for LLAMA-7B. Our code is publicly available at https://github.com/QingruZhang/PASTA .

Bias in training datasets must be managed for various groups in classification tasks to ensure parity or equal treatment. With the recent growth in artificial intelligence models and their expanding role in automated decision-making, ensuring that these models are not biased is vital. There is an abundance of evidence suggesting that these models could contain or even amplify the bias present in the data on which they are trained, inherent to their objective function and learning algorithms; Many researchers direct their attention to this issue in different directions, namely, changing data to be statistically independent, adversarial training for restricting the capabilities of a particular competitor who aims to maximize parity, etc. These methods result in information loss and do not provide a suitable balance between accuracy and fairness or do not ensure limiting the biases in training. To this end, we propose a powerful strategy for training deep learning models called the Distraction module, which can be theoretically proven effective in controlling bias from affecting the classification results. This method can be utilized with different data types (e.g., Tabular, images, graphs, etc.). We demonstrate the potency of the proposed method by testing it on UCI Adult and Heritage Health datasets (tabular), POKEC-Z, POKEC-N and NBA datasets (graph), and CelebA dataset (vision). Using state-of-the-art methods proposed in the fairness literature for each dataset, we exhibit our model is superior to these proposed methods in minimizing bias and maintaining accuracy.

Acuity assessments are vital in critical care settings to provide timely interventions and fair resource allocation. Traditional acuity scores rely on manual assessments and documentation of physiological states, which can be time-consuming, intermittent, and difficult to use for healthcare providers. Furthermore, such scores do not incorporate granular information such as patients' mobility level, which can indicate recovery or deterioration in the ICU. We hypothesized that existing acuity scores could be potentially improved by employing Artificial Intelligence (AI) techniques in conjunction with Electronic Health Records (EHR) and wearable sensor data. In this study, we evaluated the impact of integrating mobility data collected from wrist-worn accelerometers with clinical data obtained from EHR for developing an AI-driven acuity assessment score. Accelerometry data were collected from 86 patients wearing accelerometers on their wrists in an academic hospital setting. The data was analyzed using five deep neural network models: VGG, ResNet, MobileNet, SqueezeNet, and a custom Transformer network. These models outperformed a rule-based clinical score (SOFA= Sequential Organ Failure Assessment) used as a baseline, particularly regarding the precision, sensitivity, and F1 score. The results showed that while a model relying solely on accelerometer data achieved limited performance (AUC 0.50, Precision 0.61, and F1-score 0.68), including demographic information with the accelerometer data led to a notable enhancement in performance (AUC 0.69, Precision 0.75, and F1-score 0.67). This work shows that the combination of mobility and patient information can successfully differentiate between stable and unstable states in critically ill patients.

We propose a new sequential decision-making setting, combining key aspects of two established online learning problems with bandit feedback. The optimal action to play at any given moment is contingent on an underlying changing state which is not directly observable by the agent. Each state is associated with a context distribution, possibly corrupted, allowing the agent to identify the state. Furthermore, states evolve in a Markovian fashion, providing useful information to estimate the current state via state history. In the proposed problem setting, we tackle the challenge of deciding on which of the two sources of information the agent should base its arm selection. We present an algorithm that uses a referee to dynamically combine the policies of a contextual bandit and a multi-armed bandit. We capture the time-correlation of states through iteratively learning the action-reward transition model, allowing for efficient exploration of actions. Our setting is motivated by adaptive mobile health (mHealth) interventions. Users transition through different, time-correlated, but only partially observable internal states, determining their current needs. The side information associated with each internal state might not always be reliable, and standard approaches solely rely on the context risk of incurring high regret. Similarly, some users might exhibit weaker correlations between subsequent states, leading to approaches that solely rely on state transitions risking the same. We analyze our setting and algorithm in terms of regret lower bound and upper bounds and evaluate our method on simulated medication adherence intervention data and several real-world data sets, showing improved empirical performance compared to several popular algorithms.

Due to the incapability of one sensory measurement to provide enough information for condition monitoring of some complex engineered industrial mechanisms and also for overcoming the misleading noise of a single sensor, multiple sensors are installed to improve the condition monitoring of some industrial equipment. Therefore, an efficient data fusion strategy is demanded. In this research, we presented a Denoising Multi-Modal Autoencoder with a unique training strategy based on contrastive learning paradigm, both being utilized for the first time in the machine health monitoring realm. The presented approach, which leverages the merits of both supervised and unsupervised learning, not only achieves excellent performance in fusing multiple modalities (or views) of data into an enriched common representation but also takes data fusion to the next level wherein one of the views can be omitted during inference time with very slight performance reduction, or even without any reduction at all. The presented methodology enables multi-modal fault diagnosis systems to perform more robustly in case of sensor failure occurrence, and one can also intentionally omit one of the sensors (the more expensive one) in order to build a more cost-effective condition monitoring system without sacrificing performance for practical purposes. The effectiveness of the presented methodology is examined on a real-world private multi-modal dataset gathered under non-laboratory conditions from a complex engineered mechanism, an inline four-stroke spark-ignition engine, aiming for spark plug fault diagnosis. This dataset, which contains the accelerometer and acoustic signals as two modalities, has a very slight amount of fault, and achieving good performance on such a dataset promises that the presented method can perform well on other equipment as well.

Imitation learning of robot policies from few demonstrations is crucial in open-ended applications. We propose a new method, Interaction Warping, for learning SE(3) robotic manipulation policies from a single demonstration. We infer the 3D mesh of each object in the environment using shape warping, a technique for aligning point clouds across object instances. Then, we represent manipulation actions as keypoints on objects, which can be warped with the shape of the object. We show successful one-shot imitation learning on three simulated and real-world object re-arrangement tasks. We also demonstrate the ability of our method to predict object meshes and robot grasps in the wild.  ( 2 min )

Contrastive representation learning is crucial in medical time series analysis as it alleviates dependency on labor-intensive, domain-specific, and scarce expert annotations. However, existing contrastive learning methods primarily focus on one single data level, which fails to fully exploit the intricate nature of medical time series. To address this issue, we present COMET, an innovative hierarchical framework that leverages data consistencies at all inherent levels in medical time series. Our meticulously designed model systematically captures data consistency from four potential levels: observation, sample, trial, and patient levels. By developing contrastive loss at multiple levels, we can learn effective representations that preserve comprehensive data consistency, maximizing information utilization in a self-supervised manner. We conduct experiments in the challenging patient-independent setting. We compare COMET against six baselines using three diverse datasets, which include ECG signals for myocardial infarction and EEG signals for Alzheimer's and Parkinson's diseases. The results demonstrate that COMET consistently outperforms all baselines, particularly in setup with 10% and 1% labeled data fractions across all datasets. These results underscore the significant impact of our framework in advancing contrastive representation learning techniques for medical time series. The source code is available at https://github.com/DL4mHealth/COMET.

Transformer-based neural network architectures achieve state-of-the-art results in different domains, from natural language processing (NLP) to computer vision (CV). The key idea of Transformers, the attention mechanism, has already led to significant breakthroughs in many areas. The attention has found their implementation for time series data as well. However, due to the quadratic complexity of the attention calculation regarding input sequence length, the application of Transformers is limited by high resource demands. Moreover, their modifications for industrial time series need to be robust to missing or noised values, which complicates the expansion of the horizon of their application. To cope with these issues, we introduce the class of efficient Transformers named Regularized Transformers (Reguformers). We implement the regularization technique inspired by the dropout ideas to improve robustness and reduce computational expenses. The focus in our experiments is on oil&gas data, namely, well logs, a prominent example of multivariate time series. The goal is to solve the problems of similarity and representation learning for them. To evaluate our models for such problems, we work with an industry-scale open dataset consisting of well logs of more than 20 wells. The experiments show that all variations of Reguformers outperform the previously developed RNNs, classical Transformer model, and robust modifications of it like Informer and Performer in terms of well-intervals' classification and the quality of the obtained well-intervals' representations. Moreover, the sustainability to missing and incorrect data in our models exceeds that of others by a significant margin. The best result that the Reguformer achieves on well-interval similarity task is the mean PR~AUC score equal to 0.983, which is comparable to the classical Transformer and outperforms the previous models.

A crucial part of any home is the roof over our heads to protect us from the elements. In this paper we present the Zeitview Rooftop Geometry (ZRG) dataset for residential rooftop understanding. ZRG is a large-scale residential rooftop dataset of over 20k properties collected through roof inspections from across the U.S. and contains multiple modalities including high resolution aerial orthomosaics, digital surface models (DSM), colored point clouds, and 3D roof wireframe annotations. We provide an in-depth analysis and perform several experimental baselines including roof outline extraction, monocular height estimation, and planar roof structure extraction, to illustrate a few of the numerous potential applications unlocked by this dataset.

Despite the considerable potential of reinforcement learning (RL), robotics control tasks predominantly rely on imitation learning (IL) owing to its better sample efficiency. However, given the high cost of collecting extensive demonstrations, RL is still appealing if it can utilize limited imitation data for efficient autonomous self-improvement. Existing RL methods that utilize demonstrations either initialize the replay buffer with demonstrations and oversample them during RL training, which does not benefit from the generalization potential of modern IL methods, or pretrain the RL policy with IL on the demonstrations, which requires additional mechanisms to prevent catastrophic forgetting during RL fine-tuning. We propose imitation bootstrapped reinforcement learning (IBRL), a novel framework that first trains an IL policy on a limited number of demonstrations and then uses it to propose alternative actions for both online exploration and target value bootstrapping. IBRL achieves SoTA performance and sample efficiency on 7 challenging sparse reward continuous control tasks in simulation while learning directly from pixels. As a highlight of our method, IBRL achieves $6.4\times$ higher success rate than RLPD, a strong method that combines the idea of oversampling demonstrations with modern RL improvements, under the budget of 10 demos and 100K interactions in the challenging PickPlaceCan task in the Robomimic benchmark.

Gaussian processes are frequently deployed as part of larger machine learning and decision-making systems, for instance in geospatial modeling, Bayesian optimization, or in latent Gaussian models. Within a system, the Gaussian process model needs to perform in a stable and reliable manner to ensure it interacts correctly with other parts of the system. In this work, we study the numerical stability of scalable sparse approximations based on inducing points. To do so, we first review numerical stability, and illustrate typical situations in which Gaussian process models can be unstable. Building on stability theory originally developed in the interpolation literature, we derive sufficient and in certain cases necessary conditions on the inducing points for the computations performed to be numerically stable. For low-dimensional tasks such as geospatial modeling, we propose an automated method for computing inducing points satisfying these conditions. This is done via a modification of the cover tree data structure, which is of independent interest. We additionally propose an alternative sparse approximation for regression with a Gaussian likelihood which trades off a small amount of performance to further improve stability. We provide illustrative examples showing the relationship between stability of calculations and predictive performance of inducing point methods on spatial tasks.

Explaining the behaviour of intelligent agents learned by reinforcement learning (RL) to humans is challenging yet crucial due to their incomprehensible proprioceptive states, variational intermediate goals, and resultant unpredictability. Moreover, one-step explanations for RL agents can be ambiguous as they fail to account for the agent's future behaviour at each transition, adding to the complexity of explaining robot actions. By leveraging abstracted actions that map to task-specific primitives, we avoid explanations on the movement level. To further improve the transparency and explainability of robotic systems, we propose an explainable Q-Map learning framework that combines reward decomposition (RD) with abstracted action spaces, allowing for non-ambiguous and high-level explanations based on object properties in the task. We demonstrate the effectiveness of our framework through quantitative and qualitative analysis of two robotic scenarios, showcasing visual and textual explanations, from output artefacts of RD explanations, that are easy for humans to comprehend. Additionally, we demonstrate the versatility of integrating these artefacts with large language models (LLMs) for reasoning and interactive querying.

We present a unified framework for deriving PAC-Bayesian generalization bounds. Unlike most previous literature on this topic, our bounds are anytime-valid (i.e., time-uniform), meaning that they hold at all stopping times, not only for a fixed sample size. Our approach combines four tools in the following order: (a) nonnegative supermartingales or reverse submartingales, (b) the method of mixtures, (c) the Donsker-Varadhan formula (or other convex duality principles), and (d) Ville's inequality. Our main result is a PAC-Bayes theorem which holds for a wide class of discrete stochastic processes. We show how this result implies time-uniform versions of well-known classical PAC-Bayes bounds, such as those of Seeger, McAllester, Maurer, and Catoni, in addition to many recent bounds. We also present several novel bounds. Our framework also enables us to relax traditional assumptions; in particular, we consider nonstationary loss functions and non-i.i.d. data. In sum, we unify the derivation of past bounds and ease the search for future bounds: one may simply check if our supermartingale or submartingale conditions are met and, if so, be guaranteed a (time-uniform) PAC-Bayes bound.

Our research investigates the recommendation of code examples to aid software developers, a practice that saves developers significant time by providing ready-to-use code snippets. The focus of our study is Stack Overflow, a commonly used resource for coding discussions and solutions, particularly in the context of the Java programming language. We applied BERT, a powerful Large Language Model (LLM) that enables us to transform code examples into numerical vectors by extracting their semantic information. Once these numerical representations are prepared, we identify Approximate Nearest Neighbors (ANN) using Locality-Sensitive Hashing (LSH). Our research employed two variants of LSH: Random Hyperplane-based LSH and Query-Aware LSH. We rigorously compared these two approaches across four parameters: HitRate, Mean Reciprocal Rank (MRR), Average Execution Time, and Relevance. Our study revealed that the Query-Aware (QA) approach showed superior performance over the Random Hyperplane-based (RH) method. Specifically, it exhibited a notable improvement of 20\% to 35\% in HitRate for query pairs compared to the RH approach. Furthermore, the QA approach proved significantly more time-efficient, with its speed in creating hashing tables and assigning data samples to buckets being at least four times faster. It can return code examples within milliseconds, whereas the RH approach typically requires several seconds to recommend code examples. Due to the superior performance of the QA approach, we tested it against PostFinder and FaCoY, the state-of-the-art baselines. Our QA method showed comparable efficiency proving its potential for effective code recommendation.

Generative transformer models have become increasingly complex, with large numbers of parameters and the ability to process multiple input modalities. Current methods for explaining their predictions are resource-intensive. Most crucially, they require prohibitively large amounts of extra memory, since they rely on backpropagation which allocates almost twice as much GPU memory as the forward pass. This makes it difficult, if not impossible, to use them in production. We present AtMan that provides explanations of generative transformer models at almost no extra cost. Specifically, AtMan is a modality-agnostic perturbation method that manipulates the attention mechanisms of transformers to produce relevance maps for the input with respect to the output prediction. Instead of using backpropagation, AtMan applies a parallelizable token-based search method based on cosine similarity neighborhood in the embedding space. Our exhaustive experiments on text and image-text benchmarks demonstrate that AtMan outperforms current state-of-the-art gradient-based methods on several metrics while being computationally efficient. As such, AtMan is suitable for use in large model inference deployments.

Safe reinforcement learning (RL) with hard constraint guarantees is a promising optimal control direction for multi-energy management systems. It only requires the environment-specific constraint functions itself a priori and not a complete model. The project-specific upfront and ongoing engineering efforts are therefore still reduced, better representations of the underlying system dynamics can still be learnt, and modelling bias is kept to a minimum. However, even the constraint functions alone are not always trivial to accurately provide in advance, leading to potentially unsafe behaviour. In this paper, we present two novel advancements: (I) combining the OptLayer and SafeFallback method, named OptLayerPolicy, to increase the initial utility while keeping a high sample efficiency and the possibility to formulate equality constraints. (II) introducing self-improving hard constraints, to increase the accuracy of the constraint functions as more and new data becomes available so that better policies can be learnt. Both advancements keep the constraint formulation decoupled from the RL formulation, so new (presumably better) RL algorithms can act as drop-in replacements. We have shown that, in a simulated multi-energy system case study, the initial utility is increased to 92.4% (OptLayerPolicy) compared to 86.1% (OptLayer) and that the policy after training is increased to 104.9% (GreyOptLayerPolicy) compared to 103.4% (OptLayer) - all relative to a vanilla RL benchmark. Although introducing surrogate functions into the optimisation problem requires special attention, we conclude that the newly presented GreyOptLayerPolicy method is the most advantageous.

Understanding which concepts models can and cannot represent has been fundamental to many tasks: from effective and responsible use of models to detecting out of distribution data. We introduce Gaussian process probes (GPP), a unified and simple framework for probing and measuring uncertainty about concepts represented by models. As a Bayesian extension of linear probing methods, GPP asks what kind of distribution over classifiers (of concepts) is induced by the model. This distribution can be used to measure both what the model represents and how confident the probe is about what the model represents. GPP can be applied to any pre-trained model with vector representations of inputs (e.g., activations). It does not require access to training data, gradients, or the architecture. We validate GPP on datasets containing both synthetic and real images. Our experiments show it can (1) probe a model's representations of concepts even with a very small number of examples, (2) accurately measure both epistemic uncertainty (how confident the probe is) and aleatory uncertainty (how fuzzy the concepts are to the model), and (3) detect out of distribution data using those uncertainty measures as well as classic methods do. By using Gaussian processes to expand what probing can offer, GPP provides a data-efficient, versatile and uncertainty-aware tool for understanding and evaluating the capabilities of machine learning models.  ( 3 min )

Learning in high-dimensional action spaces is a key challenge in applying reinforcement learning (RL) to real-world systems. In this paper, we study the possibility of controlling power networks using RL methods. Power networks are critical infrastructures that are complex to control. In particular, the combinatorial nature of the action space poses a challenge to both conventional optimizers and learned controllers. Hierarchical reinforcement learning (HRL) represents one approach to address this challenge. More precisely, a HRL framework for power network topology control is proposed. The HRL framework consists of three levels of action abstraction. At the highest level, there is the overall long-term task of power network operation, namely, keeping the power grid state within security constraints at all times, which is decomposed into two temporally extended actions: 'do nothing' versus 'propose a topology change'. At the intermediate level, the action space consists of all controllable substations. Finally, at the lowest level, the action space consists of all configurations of the chosen substation. By employing this HRL framework, several hierarchical power network agents are trained for the IEEE 14-bus network. Whereas at the highest level a purely rule-based policy is still chosen for all agents in this study, at the intermediate level the policy is trained using different state-of-the-art RL algorithms. At the lowest level, either an RL algorithm or a greedy algorithm is used. The performance of the different 3-level agents is compared with standard baseline (RL or greedy) approaches. A key finding is that the 3-level agent that employs RL both at the intermediate and the lowest level outperforms all other agents on the most difficult task. Our code is publicly available.

Numbers are crucial for various real-world domains such as finance, economics, and science. Thus, understanding and reasoning with numbers are essential skills for language models to solve different tasks. While different numerical benchmarks have been introduced in recent years, they are limited to specific numerical aspects mostly. In this paper, we propose a hierarchical taxonomy for numerical reasoning skills with more than ten reasoning types across four levels: representation, number sense, manipulation, and complex reasoning. We conduct a comprehensive evaluation of state-of-the-art models to identify reasoning challenges specific to them. Henceforth, we develop a diverse set of numerical probes employing a semi-automated approach. We focus on the tabular Natural Language Inference (TNLI) task as a case study and measure models' performance shifts. Our results show that no model consistently excels across all numerical reasoning types. Among the probed models, FlanT5 (few-/zero-shot) and GPT-3.5 (few-shot) demonstrate strong overall numerical reasoning skills compared to other models. Label-flipping probes indicate that models often exploit dataset artifacts to predict the correct labels.

Identifying contextual integrity (CI) and governing knowledge commons (GKC) parameters in privacy policy texts can facilitate normative privacy analysis. However, GKC-CI annotation has heretofore required manual or crowdsourced effort. This paper demonstrates that high-accuracy GKC-CI parameter annotation of privacy policies can be performed automatically using large language models. We fine-tune 18 open-source and proprietary models on 21,588 GKC-CI annotations from 16 ground truth privacy policies. Our best-performing model (fine-tuned GPT-3.5 Turbo with prompt engineering) has an accuracy of 86%, exceeding the performance of prior crowdsourcing approaches despite the complexity of privacy policy texts and the nuance of the GKC-CI annotation task. We apply our best-performing model to privacy policies from 164 popular online services, demonstrating the effectiveness of scaling GKC-CI annotation for data exploration. We make all annotated policies as well as the training data and scripts needed to fine-tune our best-performing model publicly available for future research.

Injecting structure into neural networks enables learning functions that satisfy invariances with respect to subsets of inputs. For instance, when learning generative models using neural networks, it is advantageous to encode the conditional independence structure of observed variables, often in the form of Bayesian networks. We propose the Structured Neural Network (StrNN), which injects structure through masking pathways in a neural network. The masks are designed via a novel relationship we explore between neural network architectures and binary matrix factorization, to ensure that the desired independencies are respected. We devise and study practical algorithms for this otherwise NP-hard design problem based on novel objectives that control the model architecture. We demonstrate the utility of StrNN in three applications: (1) binary and Gaussian density estimation with StrNN, (2) real-valued density estimation with Structured Autoregressive Flows (StrAFs) and Structured Continuous Normalizing Flows (StrCNF), and (3) interventional and counterfactual analysis with StrAFs for causal inference. Our work opens up new avenues for learning neural networks that enable data-efficient generative modeling and the use of normalizing flows for causal effect estimation.

While a substantial amount of work has recently been devoted to enhance the performance of computational Authorship Identification (AId) systems, little to no attention has been paid to endowing AId systems with the ability to explain the reasons behind their predictions. This lacking substantially hinders the practical employment of AId methodologies, since the predictions returned by such systems are hardly useful unless they are supported with suitable explanations. In this paper, we explore the applicability of existing general-purpose eXplainable Artificial Intelligence (XAI) techniques to AId, with a special focus on explanations addressed to scholars working in cultural heritage. In particular, we assess the relative merits of three different types of XAI techniques (feature ranking, probing, factuals and counterfactual selection) on three different AId tasks (authorship attribution, authorship verification, same-authorship verification) by running experiments on real AId data. Our analysis shows that, while these techniques make important first steps towards explainable Authorship Identification, more work remains to be done in order to provide tools that can be profitably integrated in the workflows of scholars.

Bayesian Optimization (BO) is a technique for sample-efficient black-box optimization that employs probabilistic models to identify promising input locations for evaluation. When dealing with composite-structured functions, such as f=g o h, evaluating a specific location x yields observations of both the final outcome f(x) = g(h(x)) as well as the intermediate output(s) h(x). Previous research has shown that integrating information from these intermediate outputs can enhance BO performance substantially. However, existing methods struggle if the outputs h(x) are high-dimensional. Many relevant problems fall into this setting, including in the context of generative AI, molecular design, or robotics. To effectively tackle these challenges, we introduce Joint Composite Latent Space Bayesian Optimization (JoCo), a novel framework that jointly trains neural network encoders and probabilistic models to adaptively compress high-dimensional input and output spaces into manageable latent representations. This enables viable BO on these compressed representations, allowing JoCo to outperform other state-of-the-art methods in high-dimensional BO on a wide variety of simulated and real-world problems.

Decision making via sequence modeling aims to mimic the success of language models, where actions taken by an embodied agent are modeled as tokens to predict. Despite their promising performance, it remains unclear if embodied sequence modeling leads to the emergence of internal representations that represent the environmental state information. A model that lacks abstract state representations would be liable to make decisions based on surface statistics which fail to generalize. We take the BabyAI environment, a grid world in which language-conditioned navigation tasks are performed, and build a sequence modeling Transformer, which takes a language instruction, a sequence of actions, and environmental observations as its inputs. In order to investigate the emergence of abstract state representations, we design a "blindfolded" navigation task, where only the initial environmental layout, the language instruction, and the action sequence to complete the task are available for training. Our probing results show that intermediate environmental layouts can be reasonably reconstructed from the internal activations of a trained model, and that language instructions play a role in the reconstruction accuracy. Our results suggest that many key features of state representations can emerge via embodied sequence modeling, supporting an optimistic outlook for applications of sequence modeling objectives to more complex embodied decision-making domains.

One of the main challenges in offline Reinforcement Learning (RL) is the distribution shift that arises from the learned policy deviating from the data collection policy. This is often addressed by avoiding out-of-distribution (OOD) actions during policy improvement as their presence can lead to substantial performance degradation. This challenge is amplified in the offline Multi-Agent RL (MARL) setting since the joint action space grows exponentially with the number of agents. To avoid this curse of dimensionality, existing MARL methods adopt either value decomposition methods or fully decentralized training of individual agents. However, even when combined with standard conservatism principles, these methods can still result in the selection of OOD joint actions in offline MARL. To this end, we introduce AlberDICE, an offline MARL algorithm that alternatively performs centralized training of individual agents based on stationary distribution optimization. AlberDICE circumvents the exponential complexity of MARL by computing the best response of one agent at a time while effectively avoiding OOD joint action selection. Theoretically, we show that the alternating optimization procedure converges to Nash policies. In the experiments, we demonstrate that AlberDICE significantly outperforms baseline algorithms on a standard suite of MARL benchmarks.

Neurons can display highly variable dynamics. While such variability presumably supports the wide range of behaviors generated by the organism, their gene expressions are relatively stable in the adult brain. This suggests that neuronal activity is a combination of its time-invariant identity and the inputs the neuron receives from the rest of the circuit. Here, we propose a self-supervised learning based method to assign time-invariant representations to individual neurons based on permutation-, and population size-invariant summary of population recordings. We fit dynamical models to neuronal activity to learn a representation by considering the activity of both the individual and the neighboring population. Our self-supervised approach and use of implicit representations enable robust inference against imperfections such as partial overlap of neurons across sessions, trial-to-trial variability, and limited availability of molecular (transcriptomic) labels for downstream supervised tasks. We demonstrate our method on a public multimodal dataset of mouse cortical neuronal activity and transcriptomic labels. We report > 35% improvement in predicting the transcriptomic subclass identity and > 20% improvement in predicting class identity with respect to the state-of-the-art.

Tensor clustering, which seeks to extract underlying cluster structures from noisy tensor observations, has gained increasing attention. One extensively studied model for tensor clustering is the tensor block model, which postulates the existence of clustering structures along each mode and has found broad applications in areas like multi-tissue gene expression analysis and multilayer network analysis. However, currently available computationally feasible methods for tensor clustering either are limited to handling i.i.d. sub-Gaussian noise or suffer from suboptimal statistical performance, which restrains their utility in applications that have to deal with heteroskedastic data and/or low signal-to-noise-ratio (SNR). To overcome these challenges, we propose a two-stage method, named $\mathsf{High\text{-}order~HeteroClustering}$ ($\mathsf{HHC}$), which starts by performing tensor subspace estimation via a novel spectral algorithm called $\mathsf{Thresholded~Deflated\text{-}HeteroPCA}$, followed by approximate $k$-means to obtain cluster nodes. Encouragingly, our algorithm provably achieves exact clustering as long as the SNR exceeds the computational limit (ignoring logarithmic factors); here, the SNR refers to the ratio of the pairwise disparity between nodes to the noise level, and the computational limit indicates the lowest SNR that enables exact clustering with polynomial runtime. Comprehensive simulation and real-data experiments suggest that our algorithm outperforms existing algorithms across various settings, delivering more reliable clustering performance.

Third-generation artificial neural networks, Spiking Neural Networks (SNNs), can be efficiently implemented on hardware. Their implementation on neuromorphic chips opens a broad range of applications, such as machine learning-based autonomous control and intelligent biomedical devices. In critical applications, however, insight into the reasoning of SNNs is important, thus SNNs need to be equipped with the ability to explain how decisions are reached. We present \textit{Temporal Spike Attribution} (TSA), a local explanation method for SNNs. To compute the explanation, we aggregate all information available in model-internal variables: spike times and model weights. We evaluate TSA on artificial and real-world time series data and measure explanation quality w.r.t. multiple quantitative criteria. We find that TSA correctly identifies a small subset of input features relevant to the decision (i.e., is output-complete and compact) and generates similar explanations for similar inputs (i.e., is continuous). Further, our experiments show that incorporating the notion of \emph{absent} spikes improves explanation quality. Our work can serve as a starting point for explainable SNNs, with future implementations on hardware yielding not only predictions but also explanations in a broad range of application scenarios. Source code is available at https://github.com/ElisaNguyen/tsa-explanations.

In recent years, tasks of machine learning ranging from image processing & audio/video analysis to natural language understanding have been transformed by deep learning. The data content in all these scenarios are expressed via Euclidean space. However, a considerable amount of application data is structured in non-Euclidean space and is expressed as graphs, e.g. dealing with complicated interactions & object interdependencies. Modelling physical systems, learning molecular signatures, identifying protein interactions and predicting diseases involve utilising a model that can adapt from graph data. Graph neural networks (GNNs), specified as artificial-neural models, employ message transmission between graph nodes to represent graph dependencies and are primarily used in the non-Euclidean domain. Variants of GNN like Graph Recurrent Networks (GRN), Graph Auto Encoder (GAE), Graph Convolution Networks (GCN), Graph Adversarial Methods & Graph Reinforcement learning have exhibited breakthrough productivity on a wide range of tasks, especially in the field of bioinformatics, in recent years as a result of the rapid collection of biological network data. Apart from presenting all existing GNN models, mathematical analysis and comparison of the variants of all types of GNN have been highlighted in this survey. Graph neural networks are investigated for their potential real-world applications in various fields, focusing on Bioinformatics. Furthermore, resources for evaluating graph neural network models and accessing open-source code & benchmark data sets are included. Ultimately, we provide some (seven) proposals for future research in this rapidly evolving domain. GNNs have the potential to be an excellent tool for solving a wide range of biological challenges in bioinformatics research, as they are best represented as connected complex graphs.

Advancement in the field of machine learning is unavoidable, but something of major concern is preserving the privacy of the users whose data is being used for training these machine learning algorithms. Federated learning(FL) has emerged as a promising paradigm for training machine learning models in a distributed and privacy-preserving manner which enables one to collaborate and train a global model without sharing local data. But starting this learning process on each device in the right way, called ``model initialization" is critical. The choice of initialization methods used for models plays a crucial role in the performance, convergence speed, communication efficiency, privacy guarantees of federated learning systems, etc. In this survey, we dive deeper into a comprehensive study of various ways of model initialization techniques in FL.Unlike other studies, our research meticulously compares, categorizes, and delineates the merits and demerits of each technique, examining their applicability across diverse FL scenarios. We highlight how factors like client variability, data non-IIDness, model caliber, security considerations, and network restrictions influence FL model outcomes and propose how strategic initialization can address and potentially rectify many such challenges. The motivation behind this survey is to highlight that the right start can help overcome challenges like varying data quality, security issues, and network problems. Our insights provide a foundational base for experts looking to fully utilize FL, also while understanding the complexities of model initialization.

The phenomenon of Gravitational Wave (GW) analysis has grown in popularity as technology has advanced and the process of observing gravitational waves has become more precise. Although the sensitivity and the frequency of observation of GW signals are constantly improving, the possibility of noise in the collected GW data remains. In this paper, we propose two new Machine and Deep learning ensemble approaches (i.e., ShallowWaves and DeepWaves Ensembles) for detecting different types of noise and patterns in datasets from GW observatories. Our research also investigates various Machine and Deep Learning techniques for multi-class classification and provides a comprehensive benchmark, emphasizing the best results in terms of three commonly used performance metrics (i.e., accuracy, precision, and recall). We train and test our models on a dataset consisting of annotated time series from real-world data collected by the Advanced Laser Interferometer GW Observatory (LIGO). We empirically show that the best overall accuracy is obtained by the proposed DeepWaves Ensemble, followed close by the ShallowWaves Ensemble.

We introduce a pairing-based graph neural network, $\textit{GemiNet}$, for simulating quantum many-body systems. Our architecture augments a BCS mean-field wavefunction with a generalized pair amplitude parameterized by a graph neural network. Variational Monte Carlo with GemiNet simultaneously provides an accurate, flexible, and scalable method for simulating many-electron systems. We apply GemiNet to two-dimensional semiconductor electron-hole bilayers and obtain highly accurate results on a variety of interaction-induced phases, including the exciton Bose-Einstein condensate, electron-hole superconductor, and bilayer Wigner crystal. Our study demonstrates the potential of physically-motivated neural network wavefunctions for quantum materials simulations.

High-frequency trading is prevalent, where automated decisions must be made quickly to take advantage of price imbalances and patterns in price action that forecast near-future movements. While many algorithms have been explored and tested, analytical methods fail to harness the whole nature of the market environment by focusing on a limited domain. With the evergrowing machine learning field, many large-scale end-to-end studies on raw data have been successfully employed to increase the domain scope for profitable trading but are very difficult to replicate. Combining deep learning on the order books with reinforcement learning is one way of breaking down large-scale end-to-end learning into more manageable and lightweight components for reproducibility, suitable for retail trading. The following work focuses on forecasting returns across multiple horizons using order flow imbalance and training three temporal-difference learning models for five financial instruments to provide trading signals. The instruments used are two foreign exchange pairs (GBPUSD and EURUSD), two indices (DE40 and FTSE100), and one commodity (XAUUSD). The performances of these 15 agents are evaluated through backtesting simulation, and successful models proceed through to forward testing on a retail trading platform. The results prove potential but require further minimal modifications for consistently profitable trading to fully handle retail trading costs, slippage, and spread fluctuation.

Hierarchical federated learning (HFL) shows great advantages over conventional two-layer federated learning (FL) in reducing network overhead and interaction latency while still retaining the data privacy of distributed FL clients. However, the communication and energy overhead still pose a bottleneck for HFL performance, especially as the number of clients raises dramatically. To tackle this issue, we propose a non-orthogonal multiple access (NOMA) enabled HFL system under semi-synchronous cloud model aggregation in this paper, aiming to minimize the total cost of time and energy at each HFL global round. Specifically, we first propose a novel fuzzy logic based client orchestration policy considering client heterogenerity in multiple aspects, including channel quality, data quantity and model staleness. Subsequently, given the fuzzy based client-edge association, a joint edge server scheduling and resource allocation problem is formulated. Utilizing problem decomposition, we firstly derive the closed-form solution for the edge server scheduling subproblem via the penalty dual decomposition (PDD) method. Next, a deep deterministic policy gradient (DDPG) based algorithm is proposed to tackle the resource allocation subproblem considering time-varying environments. Finally, extensive simulations demonstrate that the proposed scheme outperforms the considered benchmarks regarding HFL performance improvement and total cost reduction.

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the enormous empirical success, the underlying mechanisms behind CoT and how it unlocks the potential of LLMs remain elusive. In this paper, we take a first step towards theoretically answering these questions. Specifically, we examine the expressivity of LLMs with CoT in solving fundamental mathematical and decision-making problems. By using circuit complexity theory, we first give impossibility results showing that bounded-depth Transformers are unable to directly produce correct answers for basic arithmetic/equation tasks unless the model size grows super-polynomially with respect to the input length. In contrast, we then prove by construction that autoregressive Transformers of constant size suffice to solve both tasks by generating CoT derivations using a commonly used math language format. Moreover, we show LLMs with CoT can handle a general class of decision-making problems known as Dynamic Programming, thus justifying its power in tackling complex real-world tasks. Finally, an extensive set of experiments show that, while Transformers always fail to directly predict the answers, they can consistently learn to generate correct solutions step-by-step given sufficient CoT demonstrations.  ( 3 min )

Interatomic potentials learned using machine learning methods have been successfully applied to atomistic simulations. However, accurate models require large training datasets, while generating reference calculations is computationally demanding. To bypass this difficulty, we propose a transfer learning algorithm that leverages the ability of graph neural networks (GNNs) to represent chemical environments together with kernel mean embeddings. We extract a feature map from GNNs pre-trained on the OC20 dataset and use it to learn the potential energy surface from system-specific datasets of catalytic processes. Our method is further enhanced by incorporating into the kernel the chemical species information, resulting in improved performance and interpretability. We test our approach on a series of realistic datasets of increasing complexity, showing excellent generalization and transferability performance, and improving on methods that rely on GNNs or ridge regression alone, as well as similar fine-tuning approaches.  ( 2 min )

Activation functions are the linchpins of deep learning, profoundly influencing both the representational capacity and training dynamics of neural networks. They shape not only the nature of representations but also optimize convergence rates and enhance generalization potential. Appreciating this critical role, we present the Linear Oscillation (LoC) activation function, defined as $f(x) = x \times \sin(\alpha x + \beta)$. Distinct from conventional activation functions which primarily introduce non-linearity, LoC seamlessly blends linear trajectories with oscillatory deviations. The nomenclature "Linear Oscillation" is a nod to its unique attribute of infusing linear activations with harmonious oscillations, capturing the essence of the "Importance of Confusion". This concept of "controlled confusion" within network activations is posited to foster more robust learning, particularly in contexts that necessitate discerning subtle patterns. Our empirical studies reveal that, when integrated into diverse neural architectures, the LoC activation function consistently outperforms established counterparts like ReLU and Sigmoid. The stellar performance exhibited by the avant-garde Vision Transformer model using LoC further validates its efficacy. This study illuminates the remarkable benefits of the LoC over other prominent activation functions. It champions the notion that intermittently introducing deliberate complexity or "confusion" during training can spur more profound and nuanced learning. This accentuates the pivotal role of judiciously selected activation functions in shaping the future of neural network training.

The overestimation phenomenon caused by function approximation is a well-known issue in value-based reinforcement learning algorithms such as deep Q-networks and DDPG, which could lead to suboptimal policies. To address this issue, TD3 takes the minimum value between a pair of critics. In this paper, we show that the TD3 algorithm introduces underestimation bias in mild assumptions. To obtain a more precise estimation for value function, we unify these two opposites and propose a novel algorithm \underline{W}eighted \underline{D}elayed \underline{D}eep \underline{D}eterministic Policy Gradient (WD3), which can eliminate the estimation bias and further improve the performance by weighting a pair of critics. To demonstrate the effectiveness of WD3, we compare the learning process of value function between DDPG, TD3, and WD3. The results verify that our algorithm does eliminate the estimation error of value functions. Furthermore, we evaluate our algorithm on the continuous control tasks. We observe that in each test task, the performance of WD3 consistently outperforms, or at the very least matches, that of the state-of-the-art algorithms\footnote{Our code is available at~\href{https://sites.google.com/view/ictai20-wd3/}{https://sites.google.com/view/ictai20-wd3/}.}.

This paper introduces Flamingo, a system for secure aggregation of data across a large set of clients. In secure aggregation, a server sums up the private inputs of clients and obtains the result without learning anything about the individual inputs beyond what is implied by the final sum. Flamingo focuses on the multi-round setting found in federated learning in which many consecutive summations (averages) of model weights are performed to derive a good model. Previous protocols, such as Bell et al. (CCS '20), have been designed for a single round and are adapted to the federated learning setting by repeating the protocol multiple times. Flamingo eliminates the need for the per-round setup of previous protocols, and has a new lightweight dropout resilience protocol to ensure that if clients leave in the middle of a sum the server can still obtain a meaningful result. Furthermore, Flamingo introduces a new way to locally choose the so-called client neighborhood introduced by Bell et al. These techniques help Flamingo reduce the number of interactions between clients and the server, resulting in a significant reduction in the end-to-end runtime for a full training session over prior work. We implement and evaluate Flamingo and show that it can securely train a neural network on the (Extended) MNIST and CIFAR-100 datasets, and the model converges without a loss in accuracy, compared to a non-private federated learning system.

In the quest for unveiling novel categories at test time, we confront the inherent limitations of traditional supervised recognition models that are restricted by a predefined category set. While strides have been made in the realms of self-supervised and open-world learning towards test-time category discovery, a crucial yet often overlooked question persists: what exactly delineates a category? In this paper, we conceptualize a category through the lens of optimization, viewing it as an optimal solution to a well-defined problem. Harnessing this unique conceptualization, we propose a novel, efficient and self-supervised method capable of discovering previously unknown categories at test time. A salient feature of our approach is the assignment of minimum length category codes to individual data instances, which encapsulates the implicit category hierarchy prevalent in real-world datasets. This mechanism affords us enhanced control over category granularity, thereby equipping our model to handle fine-grained categories adeptly. Experimental evaluations, bolstered by state-of-the-art benchmark comparisons, testify to the efficacy of our solution in managing unknown categories at test time. Furthermore, we fortify our proposition with a theoretical foundation, providing proof of its optimality. Our code is available at https://github.com/SarahRastegar/InfoSieve.

Contextual bandits have emerged as a cornerstone in reinforcement learning, enabling systems to make decisions with partial feedback. However, as contexts grow in complexity, traditional bandit algorithms can face challenges in adequately capturing and utilizing such contexts. In this paper, we propose a novel integration of large language models (LLMs) with the contextual bandit framework. By leveraging LLMs as an encoder, we enrich the representation of the context, providing the bandit with a denser and more informative view. Preliminary results on synthetic datasets demonstrate the potential of this approach, showing notable improvements in cumulative rewards and reductions in regret compared to traditional bandit algorithms. This integration not only showcases the capabilities of LLMs in reinforcement learning but also opens the door to a new era of contextually-aware decision systems.

The earthquake rubble analyzer uses machine learning to detect human presence via ambient sounds, achieving 97.45% accuracy. It also provides real-time environmental data, aiding in assessing survival prospects for trapped individuals, crucial for post-earthquake rescue efforts

While robust graph neural networks (GNNs) have been widely studied for graph perturbation and attack, those for label noise have received significantly less attention. Most existing methods heavily rely on the label smoothness assumption to correct noisy labels, which adversely affects their performance on heterophilous graphs. Further, they generally perform poorly in high noise-rate scenarios. To address these problems, in this paper, we propose a novel probabilistic graphical model (PGM) based framework LNP. Given a noisy label set and a clean label set, our goal is to maximize the likelihood of labels in the clean set. We first present LNP-v1, which generates clean labels based on graphs only in the Bayesian network. To further leverage the information of clean labels in the noisy label set, we put forward LNP-v2, which incorporates the noisy label set into the Bayesian network to generate clean labels. The generative process can then be used to predict labels for unlabeled nodes. We conduct extensive experiments to show the robustness of LNP on varying noise types and rates, and also on graphs with different heterophilies. In particular, we show that LNP can lead to inspiring performance in high noise-rate situations.

While molecular pre-training has shown great potential in enhancing drug discovery, the lack of a solid physical interpretation in current methods raises concerns about whether the learned representation truly captures the underlying explanatory factors in observed data, ultimately resulting in limited generalization and robustness. Although denoising methods offer a physical interpretation, their accuracy is often compromised by ad-hoc noise design, leading to inaccurate learned force fields. To address this limitation, this paper proposes a new method for molecular pre-training, called sliced denoising (SliDe), which is based on the classical mechanical intramolecular potential theory. SliDe utilizes a novel noise strategy that perturbs bond lengths, angles, and torsion angles to achieve better sampling over conformations. Additionally, it introduces a random slicing approach that circumvents the computationally expensive calculation of the Jacobian matrix, which is otherwise essential for estimating the force field. By aligning with physical principles, SliDe shows a 42\% improvement in the accuracy of estimated force fields compared to current state-of-the-art denoising methods, and thus outperforms traditional baselines on various molecular property prediction tasks.

We propose an incomplete algorithm for Maximum Satisfiability (MaxSAT) specifically designed to run on neural network accelerators such as GPUs and TPUs. Given a MaxSAT problem instance in conjunctive normal form, our procedure constructs a Restricted Boltzmann Machine (RBM) with an equilibrium distribution wherein the probability of a Boolean assignment is exponential in the number of clauses it satisfies. Block Gibbs sampling is used to stochastically search the space of assignments with parallel Markov chains. Since matrix multiplication is the main computational primitive for block Gibbs sampling in an RBM, our approach leads to an elegantly simple algorithm (40 lines of JAX) well-suited for neural network accelerators. Theoretical results about RBMs guarantee that the required number of visible and hidden units of the RBM scale only linearly with the number of variables and constant-sized clauses in the MaxSAT instance, ensuring that the computational cost of a Gibbs step scales reasonably with the instance size. Search throughput can be increased by batching parallel chains within a single accelerator as well as by distributing them across multiple accelerators. As a further enhancement, a heuristic based on unit propagation running on CPU is periodically applied to the sampled assignments. Our approach, which we term RbmSAT, is a new design point in the algorithm-hardware co-design space for MaxSAT. We present timed results on a subset of problem instances from the annual MaxSAT Evaluation's Incomplete Unweighted Track for the years 2018 to 2021. When allotted the same running time and CPU compute budget (but no TPUs), RbmSAT outperforms other participating solvers on problems drawn from three out of the four years' competitions. Given the same running time on a TPU cluster for which RbmSAT is uniquely designed, it outperforms all solvers on problems drawn from all four years.

A robot deployed in a home over long stretches of time faces a true lifelong learning problem. As it seeks to provide assistance to its users, the robot should leverage any accumulated experience to improve its own knowledge and proficiency. We formalize this setting with a novel formulation of lifelong learning for task and motion planning (TAMP), which endows our learner with the compositionality of TAMP systems. Exploiting the modularity of TAMP, we develop a mixture of generative models that produces candidate continuous parameters for a planner. Whereas most existing lifelong learning approaches determine a priori how data is shared across various models, our approach learns shared and non-shared models and determines which to use online during planning based on auxiliary tasks that serve as a proxy for each model's understanding of a state. Our method exhibits substantial improvements (over time and compared to baselines) in planning success on 2D and BEHAVIOR domains.  ( 2 min )

Deep reinforcement learning (DRL) has led to a wide range of advances in sequential decision-making tasks. However, the complexity of neural network policies makes it difficult to understand and deploy with limited computational resources. Currently, employing compact symbolic expressions as symbolic policies is a promising strategy to obtain simple and interpretable policies. Previous symbolic policy methods usually involve complex training processes and pre-trained neural network policies, which are inefficient and limit the application of symbolic policies. In this paper, we propose an efficient gradient-based learning method named Efficient Symbolic Policy Learning (ESPL) that learns the symbolic policy from scratch in an end-to-end way. We introduce a symbolic network as the search space and employ a path selector to find the compact symbolic policy. By doing so we represent the policy with a differentiable symbolic expression and train it in an off-policy manner which further improves the efficiency. In addition, in contrast with previous symbolic policies which only work in single-task RL because of complexity, we expand ESPL on meta-RL to generate symbolic policies for unseen tasks. Experimentally, we show that our approach generates symbolic policies with higher performance and greatly improves data efficiency for single-task RL. In meta-RL, we demonstrate that compared with neural network policies the proposed symbolic policy achieves higher performance and efficiency and shows the potential to be interpretable.

Current self-supervised learning (SSL) methods (e.g., SimCLR, DINO, VICReg,MOCOv3) target primarily on representations at instance level and do not generalize well to dense prediction tasks, such as object detection and segmentation.Towards aligning SSL with dense predictions, this paper demonstrates for the first time the underlying mean-shift clustering process of Vision Transformers (ViT), which aligns well with natural image semantics (e.g., a world of objects and stuffs). By employing transformer for joint embedding and clustering, we propose a two-level feature clustering SSL method, coined Feature-Level Self-supervised Learning (FLSL). We present the formal definition of the FLSL problem and construct the objectives from the mean-shift and k-means perspectives. We show that FLSL promotes remarkable semantic cluster representations and learns an embedding scheme amenable to intra-view and inter-view feature clustering. Experiments show that FLSL yields significant improvements in dense prediction tasks, achieving 44.9 (+2.8)% AP and 46.5% AP in object detection, as well as 40.8 (+2.3)% AP and 42.1% AP in instance segmentation on MS-COCO, using Mask R-CNN with ViT-S/16 and ViT-S/8 as backbone, respectively. FLSL consistently outperforms existing SSL methods across additional benchmarks, including UAV17 object detection on UAVDT, and video instance segmentation on DAVIS 2017.We conclude by presenting visualization and various ablation studies to better understand the success of FLSL. The source code is available at https://github.com/ISL-CV/FLSL.

Electrical load forecasting plays a crucial role in decision-making for power systems, including unit commitment and economic dispatch. The integration of renewable energy sources and the occurrence of external events, such as the COVID-19 pandemic, have rapidly increased uncertainties in load forecasting. The uncertainties in load forecasting can be divided into two types: epistemic uncertainty and aleatoric uncertainty. Separating these types of uncertainties can help decision-makers better understand where and to what extent the uncertainty is, thereby enhancing their confidence in the following decision-making. This paper proposes a diffusion-based Seq2Seq structure to estimate epistemic uncertainty and employs the robust additive Cauchy distribution to estimate aleatoric uncertainty. Our method not only ensures the accuracy of load forecasting but also demonstrates the ability to separate the two types of uncertainties and be applicable to different levels of loads. The relevant code can be found at \url{https://anonymous.4open.science/r/DiffLoad-4714/}.  ( 2 min )

Temporal hypergraphs provide a powerful paradigm for modeling time-dependent, higher-order interactions in complex systems. Representation learning for hypergraphs is essential for extracting patterns of the higher-order interactions that are critically important in real-world problems in social network analysis, neuroscience, finance, etc. However, existing methods are typically designed only for specific tasks or static hypergraphs. We present CAT-Walk, an inductive method that learns the underlying dynamic laws that govern the temporal and structural processes underlying a temporal hypergraph. CAT-Walk introduces a temporal, higher-order walk on hypergraphs, SetWalk, that extracts higher-order causal patterns. CAT-Walk uses a novel adaptive and permutation invariant pooling strategy, SetMixer, along with a set-based anonymization process that hides the identity of hyperedges. Finally, we present a simple yet effective neural network model to encode hyperedges. Our evaluation on 10 hypergraph benchmark datasets shows that CAT-Walk attains outstanding performance on temporal hyperedge prediction benchmarks in both inductive and transductive settings. It also shows competitive performance with state-of-the-art methods for node classification. (https://github.com/ubc-systopia/CATWalk)  ( 2 min )

Numerous benchmarks have been established to assess the performance of foundation models on open-ended question answering, which serves as a comprehensive test of a model's ability to understand and generate language in a manner similar to humans. Most of these works focus on proposing new datasets, however, we see two main issues within previous benchmarking pipelines, namely testing leakage and evaluation automation. In this paper, we propose a novel benchmarking framework, Language-Model-as-an-Examiner, where the LM serves as a knowledgeable examiner that formulates questions based on its knowledge and evaluates responses in a reference-free manner. Our framework allows for effortless extensibility as various LMs can be adopted as the examiner, and the questions can be constantly updated given more diverse trigger topics. For a more comprehensive and equitable evaluation, we devise three strategies: (1) We instruct the LM examiner to generate questions across a multitude of domains to probe for a broad acquisition, and raise follow-up questions to engage in a more in-depth assessment. (2) Upon evaluation, the examiner combines both scoring and ranking measurements, providing a reliable result as it aligns closely with human annotations. (3) We additionally propose a decentralized Peer-examination method to address the biases in a single examiner. Our data and benchmarking results are available at: this http URL  ( 2 min )

Weakly supervised semantic segmentation (WSSS) aims to bypass the need for laborious pixel-level annotation by using only image-level annotation. Most existing methods rely on Class Activation Maps (CAM) to derive pixel-level pseudo-labels and use them to train a fully supervised semantic segmentation model. Although these pseudo-labels are class-aware, indicating the coarse regions for particular classes, they are not object-aware and fail to delineate accurate object boundaries. To address this, we introduce a simple yet effective method harnessing the Segment Anything Model (SAM), a class-agnostic foundation model capable of producing fine-grained instance masks of objects, parts, and subparts. We use CAM pseudo-labels as cues to select and combine SAM masks, resulting in high-quality pseudo-labels that are both class-aware and object-aware. Our approach is highly versatile and can be easily integrated into existing WSSS methods without any modification. Despite its simplicity, our approach shows consistent gain over the state-of-the-art WSSS methods on both PASCAL VOC and MS-COCO datasets.  ( 2 min )

Graph Anomaly Detection (GAD) is a technique used to identify abnormal nodes within graphs, finding applications in network security, fraud detection, social media spam detection, and various other domains. A common method for GAD is Graph Auto-Encoders (GAEs), which encode graph data into node representations and identify anomalies by assessing the reconstruction quality of the graphs based on these representations. However, existing GAE models are primarily optimized for direct link reconstruction, resulting in nodes connected in the graph being clustered in the latent space. As a result, they excel at detecting cluster-type structural anomalies but struggle with more complex structural anomalies that do not conform to clusters. To address this limitation, we propose a novel solution called GAD-NR, a new variant of GAE that incorporates neighborhood reconstruction for graph anomaly detection. GAD-NR aims to reconstruct the entire neighborhood of a node, encompassing the local structure, self-attributes, and neighbor attributes, based on the corresponding node representation. By comparing the neighborhood reconstruction loss between anomalous nodes and normal nodes, GAD-NR can effectively detect any anomalies. Extensive experimentation conducted on six real-world datasets validates the effectiveness of GAD-NR, showcasing significant improvements (by up to 30% in AUC) over state-of-the-art competitors. The source code for GAD-NR is openly available. Importantly, the comparative analysis reveals that the existing methods perform well only in detecting one or two types of anomalies out of the three types studied. In contrast, GAD-NR excels at detecting all three types of anomalies across the datasets, demonstrating its comprehensive anomaly detection capabilities.

Semantic textual similarity (STS), a cornerstone task in NLP, measures the degree of similarity between a pair of sentences, and has broad application in fields such as information retrieval and natural language understanding. However, sentence similarity can be inherently ambiguous, depending on the specific aspect of interest. We resolve this ambiguity by proposing a novel task called Conditional STS (C-STS) which measures sentences' similarity conditioned on an feature described in natural language (hereon, condition). As an example, the similarity between the sentences "The NBA player shoots a three-pointer." and "A man throws a tennis ball into the air to serve." is higher for the condition "The motion of the ball" (both upward) and lower for "The size of the ball" (one large and one small). C-STS's advantages are two-fold: (1) it reduces the subjectivity and ambiguity of STS and (2) enables fine-grained language model evaluation through diverse natural language conditions. We put several state-of-the-art models to the test, and even those performing well on STS (e.g. SimCSE, Flan-T5, and GPT-4) find C-STS challenging; all with Spearman correlation scores below 50. To encourage a more comprehensive evaluation of semantic similarity and natural language understanding, we make nearly 19K C-STS examples and code available for others to train and test their models.

Latent diffusion models (LDMs) exhibit an impressive ability to produce realistic images, yet the inner workings of these models remain mysterious. Even when trained purely on images without explicit depth information, they typically output coherent pictures of 3D scenes. In this work, we investigate a basic interpretability question: does an LDM create and use an internal representation of simple scene geometry? Using linear probes, we find evidence that the internal activations of the LDM encode linear representations of both 3D depth data and a salient-object / background distinction. These representations appear surprisingly early in the denoising process$-$well before a human can easily make sense of the noisy images. Intervention experiments further indicate these representations play a causal role in image synthesis, and may be used for simple high-level editing of an LDM's output. Project page: https://yc015.github.io/scene-representation-diffusion-model/

We study continually improving an extractive question answering (QA) system via human user feedback. We design and deploy an iterative approach, where information-seeking users ask questions, receive model-predicted answers, and provide feedback. We conduct experiments involving thousands of user interactions under diverse setups to broaden the understanding of learning from feedback over time. Our experiments show effective improvement from user feedback of extractive QA models over time across different data regimes, including significant potential for domain adaptation.

Offline reinforcement learning (RL) aims to find a near-optimal policy using pre-collected datasets. In real-world scenarios, data collection could be costly and risky; therefore, offline RL becomes particularly challenging when the in-domain data is limited. Given recent advances in Large Language Models (LLMs) and their few-shot learning prowess, this paper introduces $\textbf{La}$nguage Models for $\textbf{Mo}$tion Control ($\textbf{LaMo}$), a general framework based on Decision Transformers to effectively use pre-trained Language Models (LMs) for offline RL. Our framework highlights four crucial components: (1) Initializing Decision Transformers with sequentially pre-trained LMs, (2) employing the LoRA fine-tuning method, in contrast to full-weight fine-tuning, to combine the pre-trained knowledge from LMs and in-domain knowledge effectively, (3) using the non-linear MLP transformation instead of linear projections, to generate embeddings, and (4) integrating an auxiliary language prediction loss during fine-tuning to stabilize the LMs and retain their original abilities on languages. Empirical results indicate $\textbf{LaMo}$ achieves state-of-the-art performance in sparse-reward tasks and closes the gap between value-based offline RL methods and decision transformers in dense-reward tasks. In particular, our method demonstrates superior performance in scenarios with limited data samples. Our project website is $\href{https://lamo2023.github.io}{\text{this https URL}}$.

In this paper, we investigate federated clustering (FedC) problem, that aims to accurately partition unlabeled data samples distributed over massive clients into finite clusters under the orchestration of a parameter server, meanwhile considering data privacy. Though it is an NP-hard optimization problem involving real variables denoting cluster centroids and binary variables denoting the cluster membership of each data sample, we judiciously reformulate the FedC problem into a non-convex optimization problem with only one convex constraint, accordingly yielding a soft clustering solution. Then a novel FedC algorithm using differential privacy (DP) technique, referred to as DP-FedC, is proposed in which partial clients participation and multiple local model updating steps are also considered. Furthermore, various attributes of the proposed DP-FedC are obtained through theoretical analyses of privacy protection and convergence rate, especially for the case of non-identically and independently distributed (non-i.i.d.) data, that ideally serve as the guidelines for the design of the proposed DP-FedC. Then some experimental results on two real datasets are provided to demonstrate the efficacy of the proposed DP-FedC together with its much superior performance over some state-of-the-art FedC algorithms, and the consistency with all the presented analytical results.

We study when the neural tangent kernel (NTK) approximation is valid for training a model with the square loss. In the lazy training setting of Chizat et al. 2019, we show that rescaling the model by a factor of $\alpha = O(T)$ suffices for the NTK approximation to be valid until training time $T$. Our bound is tight and improves on the previous bound of Chizat et al. 2019, which required a larger rescaling factor of $\alpha = O(T^2)$.

Convolutional neural networks necessitate good algorithms to reduce complexity, and sufficient utilization of parallel processors for acceleration. Within convolutional layers, there are three types of operators: convolution used in forward propagation, deconvolution and dilated-convolution utilized in backward propagation. During the execution of these operators, zeros are typically added to tensors, leading to redundant calculations and unnecessary strain on hardware. To circumvent these inefficiencies, we propose the C-K-S algorithm, accompanied by efficient GPU implementations. C-K-S trims filters to exclude zero-padding. For deconvolution and dilated-convolution, C-K-S transforms sparse tensors into dense tensors, and standardizes the local computational rules to simplify the hardware control. The experimental results demonstrate that C-K-S offers good performance in terms of speed and convergence, surpassing the capabilities of PyTorch and cuDNN in certain scenarios.  ( 2 min )

Energy-Based Models (EBMs) offer a versatile framework for modeling complex data distributions. However, training and sampling from EBMs continue to pose significant challenges. The widely-used Denoising Score Matching (DSM) method for scalable EBM training suffers from inconsistency issues, causing the energy model to learn a `noisy' data distribution. In this work, we propose an efficient sampling framework: (pseudo)-Gibbs sampling with moment matching, which enables effective sampling from the underlying clean model when given a `noisy' model that has been well-trained via DSM. We explore the benefits of our approach compared to related methods and demonstrate how to scale the method to high-dimensional datasets.

Deep reinforcement learning (RL) works impressively in some environments and fails catastrophically in others. Ideally, RL theory should be able to provide an understanding of why this is, i.e. bounds predictive of practical performance. Unfortunately, current theory does not quite have this ability. We compare standard deep RL algorithms to prior sample complexity bounds by introducing a new dataset, BRIDGE. It consists of 155 deterministic MDPs from common deep RL benchmarks, along with their corresponding tabular representations, which enables us to exactly compute instance-dependent bounds. We choose to focus on deterministic environments because they share many interesting properties of stochastic environments, but are easier to analyze. Using BRIDGE, we find that prior bounds do not correlate well with when deep RL succeeds vs. fails, but discover a surprising property that does. When actions with the highest Q-values under the random policy also have the highest Q-values under the optimal policy (i.e. when it is optimal to be greedy on the random policy's Q function), deep RL tends to succeed; when they don't, deep RL tends to fail. We generalize this property into a new complexity measure of an MDP that we call the effective horizon, which roughly corresponds to how many steps of lookahead search would be needed in that MDP in order to identify the next optimal action, when leaf nodes are evaluated with random rollouts. Using BRIDGE, we show that the effective horizon-based bounds are more closely reflective of the empirical performance of PPO and DQN than prior sample complexity bounds across four metrics. We also find that, unlike existing bounds, the effective horizon can predict the effects of using reward shaping or a pre-trained exploration policy. Our code and data are available at https://github.com/cassidylaidlaw/effective-horizon

Score-based diffusion models (SBDM) have recently emerged as state-of-the-art approaches for image generation. Existing SBDMs are typically formulated in a finite-dimensional setting, where images are considered as tensors of finite size. This paper develops SBDMs in the infinite-dimensional setting, that is, we model the training data as functions supported on a rectangular domain. Besides the quest for generating images at ever higher resolution, our primary motivation is to create a well-posed infinite-dimensional learning problem so that we can discretize it consistently on multiple resolution levels. We thereby intend to obtain diffusion models that generalize across different resolution levels and improve the efficiency of the training process. We demonstrate how to overcome two shortcomings of current SBDM approaches in the infinite-dimensional setting. First, we modify the forward process to ensure that the latent distribution is well-defined in the infinite-dimensional setting using the notion of trace class operators. We derive the reverse processes for finite approximations. Second, we illustrate that approximating the score function with an operator network is beneficial for multilevel training. After deriving the convergence of the discretization and the approximation of multilevel training, we implement an infinite-dimensional SBDM approach and show the first promising results on MNIST and Fashion-MNIST, underlining our developed theory.

A novel hack involving Large Language Models (LLMs) has emerged, leveraging adversarial suffixes to trick models into generating perilous responses. This method has garnered considerable attention from reputable media outlets such as the New York Times and Wired, thereby influencing public perception regarding the security and safety of LLMs. In this study, we advocate the utilization of perplexity as one of the means to recognize such potential attacks. The underlying concept behind these hacks revolves around appending an unusually constructed string of text to a harmful query that would otherwise be blocked. This maneuver confuses the protective mechanisms and tricks the model into generating a forbidden response. Such scenarios could result in providing detailed instructions to a malicious user for constructing explosives or orchestrating a bank heist. Our investigation demonstrates the feasibility of employing perplexity, a prevalent natural language processing metric, to detect these adversarial tactics before generating a forbidden response. By evaluating the perplexity of queries with and without such adversarial suffixes using an open-source LLM, we discovered that nearly 90 percent were above a perplexity of 1000. This contrast underscores the efficacy of perplexity for detecting this type of exploit.

In numerous contexts, high-resolution solutions to partial differential equations are required to capture faithfully essential dynamics which occur at small spatiotemporal scales, but these solutions can be very difficult and slow to obtain using traditional methods due to limited computational resources. A recent direction to circumvent these computational limitations is to use machine learning techniques for super-resolution, to reconstruct high-resolution numerical solutions from low-resolution simulations which can be obtained more efficiently. The proposed approach, the Super Resolution Operator Network (SROpNet), frames super-resolution as an operator learning problem and draws inspiration from existing architectures to learn continuous representations of solutions to parametric differential equations from low-resolution approximations, which can then be evaluated at any desired location. In addition, no restrictions are imposed on the locations of (the fixed number of) spatiotemporal sensors at which the low-resolution approximations are provided, thereby enabling the consideration of a broader spectrum of problems arising in practice, for which many existing super-resolution approaches are not well-suited.

This work introduces the first small-loss and gradual-variation regret bounds for online portfolio selection, marking the first instances of data-dependent bounds for online convex optimization with non-Lipschitz, non-smooth losses. The algorithms we propose exhibit sublinear regret rates in the worst cases and achieve logarithmic regrets when the data is "easy," with per-iteration time almost linear in the number of investment alternatives. The regret bounds are derived using novel smoothness characterizations of the logarithmic loss, a local norm-based analysis of following the regularized leader (FTRL) with self-concordant regularizers, which are not necessarily barriers, and an implicit variant of optimistic FTRL with the log-barrier.  ( 2 min )

Exploiting label correlations is important to multi-label classification. Previous methods capture the high-order label correlations mainly by transforming the label matrix to a latent label space with low-rank matrix factorization. However, the label matrix is generally a full-rank or approximate full-rank matrix, making the low-rank factorization inappropriate. Besides, in the latent space, the label correlations will become implicit. To this end, we propose a simple yet effective method to depict the high-order label correlations explicitly, and at the same time maintain the high-rank of the label matrix. Moreover, we estimate the label correlations and infer model parameters simultaneously via the local geometric structure of the input to achieve mutual enhancement. Comparative studies over twelve benchmark data sets validate the effectiveness of the proposed algorithm in multi-label classification. The exploited high-order label correlations are consistent with common sense empirically. Our code is publicly available at https://github.com/Chongjie-Si/HOMI.

With the development of new sensors and monitoring devices, more sources of data become available to be used as inputs for machine learning models. These can on the one hand help to improve the accuracy of a model. On the other hand, combining these new inputs with historical data remains a challenge that has not yet been studied in enough detail. In this work, we propose a transfer learning algorithm that combines new and historical data with different input dimensions. This approach is easy to implement, efficient, with computational complexity equivalent to the ordinary least-squares method, and requires no hyperparameter tuning, making it straightforward to apply when the new data is limited. Different from other approaches, we provide a rigorous theoretical study of its robustness, showing that it cannot be outperformed by a baseline that utilizes only the new data. Our approach achieves state-of-the-art performance on 9 real-life datasets, outperforming the linear DSFT, another linear transfer learning algorithm, and performing comparably to non-linear DSFT.

Data pruning algorithms are commonly used to reduce the memory and computational cost of the optimization process. Recent empirical results reveal that random data pruning remains a strong baseline and outperforms most existing data pruning methods in the high compression regime, i.e., where a fraction of $30\%$ or less of the data is kept. This regime has recently attracted a lot of interest as a result of the role of data pruning in improving the so-called neural scaling laws; in [Sorscher et al.], the authors showed the need for high-quality data pruning algorithms in order to beat the sample power law. In this work, we focus on score-based data pruning algorithms and show theoretically and empirically why such algorithms fail in the high compression regime. We demonstrate ``No Free Lunch" theorems for data pruning and present calibration protocols that enhance the performance of existing pruning algorithms in this high compression regime using randomization.

Diffusion Models (DMs) are state-of-the-art generative models that learn a reversible corruption process from iterative noise addition and denoising. They are the backbone of many generative AI applications, such as text-to-image conditional generation. However, recent studies have shown that basic unconditional DMs (e.g., DDPM and DDIM) are vulnerable to backdoor injection, a type of output manipulation attack triggered by a maliciously embedded pattern at model input. This paper presents a unified backdoor attack framework (VillanDiffusion) to expand the current scope of backdoor analysis for DMs. Our framework covers mainstream unconditional and conditional DMs (denoising-based and score-based) and various training-free samplers for holistic evaluations. Experiments show that our unified framework facilitates the backdoor analysis of different DM configurations and provides new insights into caption-based backdoor attacks on DMs. Our code is available on GitHub: \url{https://github.com/IBM/villandiffusion}  ( 2 min )

Over the last decade, there has been a vast increase in eating disorder diagnoses and eating disorder-attributed deaths, reaching their zenith during the Covid-19 pandemic. This immense growth derived in part from the stressors of the pandemic but also from increased exposure to social media, which is rife with content that promotes eating disorders. This study aimed to create a multimodal deep learning model that can determine if a given social media post promotes eating disorders based on a combination of visual and textual data. A labeled dataset of Tweets was collected from Twitter, recently rebranded as X, upon which twelve deep learning models were trained and evaluated. Based on model performance, the most effective deep learning model was the multimodal fusion of the RoBERTa natural language processing model and the MaxViT image classification model, attaining accuracy and F1 scores of 95.9% and 0.959, respectively. The RoBERTa and MaxViT fusion model, deployed to classify an unlabeled dataset of posts from the social media sites Tumblr and Reddit, generated results akin to those of previous research studies that did not employ artificial intelligence-based techniques, indicating that deep learning models can develop insights congruent to those of researchers. Additionally, the model was used to conduct a time-series analysis of yet unseen Tweets from eight Twitter hashtags, uncovering that, since 2014, the relative abundance of content that promotes eating disorders has decreased drastically within those communities. Despite this reduction, by 2018, content that promotes eating disorders had either stopped declining or increased in ampleness anew on those hashtags.  ( 3 min )

Reproducing kernel Hilbert $C^*$-module (RKHM) is a generalization of reproducing kernel Hilbert space (RKHS) by means of $C^*$-algebra, and the Perron-Frobenius operator is a linear operator related to the composition of functions. Combining these two concepts, we present deep RKHM, a deep learning framework for kernel methods. We derive a new Rademacher generalization bound in this setting and provide a theoretical interpretation of benign overfitting by means of Perron-Frobenius operators. By virtue of $C^*$-algebra, the dependency of the bound on output dimension is milder than existing bounds. We show that $C^*$-algebra is a suitable tool for deep learning with kernels, enabling us to take advantage of the product structure of operators and to provide a clear connection with convolutional neural networks. Our theoretical analysis provides a new lens through which one can design and analyze deep kernel methods.

Composed image retrieval searches for a target image based on a multi-modal user query comprised of a reference image and modification text describing the desired changes. Existing approaches to solving this challenging task learn a mapping from the (reference image, modification text)-pair to an image embedding that is then matched against a large image corpus. One area that has not yet been explored is the reverse direction, which asks the question, what reference image when modified as described by the text would produce the given target image? In this work we propose a bi-directional training scheme that leverages such reversed queries and can be applied to existing composed image retrieval architectures with minimum changes, which improves the performance of the model. To encode the bi-directional query we prepend a learnable token to the modification text that designates the direction of the query and then finetune the parameters of the text embedding module. We make no other changes to the network architecture. Experiments on two standard datasets show that our novel approach achieves improved performance over a baseline BLIP-based model that itself already achieves competitive performance. Our code is released at https://github.com/Cuberick-Orion/Bi-Blip4CIR.

Reinforcement learning from Human Feedback (RLHF) learns from preference signals, while standard Reinforcement Learning (RL) directly learns from reward signals. Preferences arguably contain less information than rewards, which makes preference-based RL seemingly more difficult. This paper theoretically proves that, for a wide range of preference models, we can solve preference-based RL directly using existing algorithms and techniques for reward-based RL, with small or no extra costs. Specifically, (1) for preferences that are drawn from reward-based probabilistic models, we reduce the problem to robust reward-based RL that can tolerate small errors in rewards; (2) for general arbitrary preferences where the objective is to find the von Neumann winner, we reduce the problem to multiagent reward-based RL which finds Nash equilibria for factored Markov games with a restricted set of policies. The latter case can be further reduced to adversarial MDP when preferences only depend on the final state. We instantiate all reward-based RL subroutines by concrete provable algorithms, and apply our theory to a large class of models including tabular MDPs and MDPs with generic function approximation. We further provide guarantees when K-wise comparisons are available.  ( 2 min )

Although substantial efforts have been made using graph neural networks (GNNs) for AI-driven drug discovery (AIDD), effective molecular representation learning remains an open challenge, especially in the case of insufficient labeled molecules. Recent studies suggest that big GNN models pre-trained by self-supervised learning on unlabeled datasets enable better transfer performance in downstream molecular property prediction tasks. However, the approaches in these studies require multiple complex self-supervised tasks and large-scale datasets, which are time-consuming, computationally expensive, and difficult to pre-train end-to-end. Here, we design a simple yet effective self-supervised strategy to simultaneously learn local and global information about molecules, and further propose a novel bi-branch masked graph transformer autoencoder (BatmanNet) to learn molecular representations. BatmanNet features two tailored complementary and asymmetric graph autoencoders to reconstruct the missing nodes and edges, respectively, from a masked molecular graph. With this design, BatmanNet can effectively capture the underlying structure and semantic information of molecules, thus improving the performance of molecular representation. BatmanNet achieves state-of-the-art results for multiple drug discovery tasks, including molecular properties prediction, drug-drug interaction, and drug-target interaction, on 13 benchmark datasets, demonstrating its great potential and superiority in molecular representation learning.

Textual data from financial filings, e.g., the Management's Discussion \& Analysis (MDA) section in Form 10-K, has been used to improve the prediction accuracy of bankruptcy models. In practice, however, we cannot obtain the MDA section for all public companies. The two main reasons for the lack of MDA are: (i) not all companies are obliged to submit the MDA and (ii) technical problems arise when crawling and scrapping the MDA section. This research introduces for the first time, to the best of our knowledge, the concept of multimodal learning in bankruptcy prediction models to solve the problem that for some companies we are unable to obtain the MDA text. We use the Conditional Multimodal Discriminative (CMMD) model to learn multimodal representations that embed information from accounting, market, and textual modalities. The CMMD model needs a sample with all data modalities for model training. At test time, the CMMD model only needs access to accounting and market modalities to generate multimodal representations, which are further used to make bankruptcy predictions. This fact makes the use of bankruptcy prediction models using textual data realistic and possible, since accounting and market data are available for all companies unlike textual data. The empirical results in this research show that the classification performance of our proposed methodology is superior compared to that of a large number of traditional classifier models. We also show that our proposed methodology solves the limitation of previous bankruptcy models using textual data, as they can only make predictions for a small proportion of companies.

Kernel methods are learning algorithms that enjoy solid theoretical foundations while suffering from important computational limitations. Sketching, which consists in looking for solutions among a subspace of reduced dimension, is a well studied approach to alleviate these computational burdens. However, statistically-accurate sketches, such as the Gaussian one, usually contain few null entries, such that their application to kernel methods and their non-sparse Gram matrices remains slow in practice. In this paper, we show that sparsified Gaussian (and Rademacher) sketches still produce theoretically-valid approximations while allowing for important time and space savings thanks to an efficient \emph{decomposition trick}. To support our method, we derive excess risk bounds for both single and multiple output kernel problems, with generic Lipschitz losses, hereby providing new guarantees for a wide range of applications, from robust regression to multiple quantile regression. Our theoretical results are complemented with experiments showing the empirical superiority of our approach over SOTA sketching methods.

Transfer learning has become an essential technique to exploit information from the source domain to boost performance of the target task. Despite the prevalence in high-dimensional data, heterogeneity and heavy tails are insufficiently accounted for by current transfer learning approaches and thus may undermine the resulting performance. We propose a transfer learning procedure in the framework of high-dimensional quantile regression models to accommodate heterogeneity and heavy tails in the source and target domains. We establish error bounds of transfer learning estimator based on delicately selected transferable source domains, showing that lower error bounds can be achieved for critical selection criterion and larger sample size of source tasks. We further propose valid confidence interval and hypothesis test procedures for individual component of high-dimensional quantile regression coefficients by advocating a double transfer learning estimator, which is one-step debiased estimator for the transfer learning estimator wherein the technique of transfer learning is designed again. By adopting data-splitting technique, we advocate a transferability detection approach that guarantees to circumvent negative transfer and identify transferable sources with high probability. Simulation results demonstrate that the proposed method exhibits some favorable and compelling performances and the practical utility is further illustrated by analyzing a real example.

Scene graphs have emerged as accurate descriptive priors for image generation and manipulation tasks, however, their complexity and diversity of the shapes and relations of objects in data make it challenging to incorporate them into the models and generate high-quality results. To address these challenges, we propose PRISM, a novel progressive multi-head image manipulation approach to improve the accuracy and quality of the manipulated regions in the scene. Our image manipulation framework is trained using an end-to-end denoising masked reconstruction proxy task, where the masked regions are progressively unmasked from the outer regions to the inner part. We take advantage of the outer part of the masked area as they have a direct correlation with the context of the scene. Moreover, our multi-head architecture simultaneously generates detailed object-specific regions in addition to the entire image to produce higher-quality images. Our model outperforms the state-of-the-art methods in the semantic image manipulation task on the CLEVR and Visual Genome datasets. Our results demonstrate the potential of our approach for enhancing the quality and precision of scene graph-based image manipulation.

Drug-Target Interaction (DTI) prediction is vital for drug discovery, yet challenges persist in achieving model interpretability and optimizing performance. We propose a novel transformer-based model, FragXsiteDTI, that aims to address these challenges in DTI prediction. Notably, FragXsiteDTI is the first DTI model to simultaneously leverage drug molecule fragments and protein pockets. Our information-rich representations for both proteins and drugs offer a detailed perspective on their interaction. Inspired by the Perceiver IO framework, our model features a learnable latent array, initially interacting with protein binding site embeddings using cross-attention and later refined through self-attention and used as a query to the drug fragments in the drug's cross-attention transformer block. This learnable query array serves as a mediator and enables seamless information translation, preserving critical nuances in drug-protein interactions. Our computational results on three benchmarking datasets demonstrate the superior predictive power of our model over several state-of-the-art models. We also show the interpretability of our model in terms of the critical components of both target proteins and drug molecules within drug-target pairs.

The matrix profile is an effective data mining tool that provides similarity join functionality for time series data. Users of the matrix profile can either join a time series with itself using intra-similarity join (i.e., self-join) or join a time series with another time series using inter-similarity join. By invoking either or both types of joins, the matrix profile can help users discover both conserved and anomalous structures in the data. Since the introduction of the matrix profile five years ago, multiple efforts have been made to speed up the computation with approximate joins; however, the majority of these efforts only focus on self-joins. In this work, we show that it is possible to efficiently perform approximate inter-time series similarity joins with error bounded guarantees by creating a compact "dictionary" representation of time series. Using the dictionary representation instead of the original time series, we are able to improve the throughput of an anomaly mining system by at least 20X, with essentially no decrease in accuracy. As a side effect, the dictionaries also summarize the time series in a semantically meaningful way and can provide intuitive and actionable insights. We demonstrate the utility of our dictionary-based inter-time series similarity joins on domains as diverse as medicine and transportation.

Inference problems for two-dimensional snapshots of rotating turbulent flows are studied. We perform a systematic quantitative benchmark of point-wise and statistical reconstruction capabilities of the linear Extended Proper Orthogonal Decomposition (EPOD) method, a non-linear Convolutional Neural Network (CNN) and a Generative Adversarial Network (GAN). We attack the important task of inferring one velocity component out of the measurement of a second one, and two cases are studied: (I) both components lay in the plane orthogonal to the rotation axis and (II) one of the two is parallel to the rotation axis. We show that EPOD method works well only for the former case where both components are strongly correlated, while CNN and GAN always outperform EPOD both concerning point-wise and statistical reconstructions. For case (II), when the input and output data are weakly correlated, all methods fail to reconstruct faithfully the point-wise information. In this case, only GAN is able to reconstruct the field in a statistical sense. The analysis is performed using both standard validation tools based on $L_2$ spatial distance between the prediction and the ground truth and more sophisticated multi-scale analysis using wavelet decomposition. Statistical validation is based on standard Jensen-Shannon divergence between the probability density functions, spectral properties and multi-scale flatness.

Meta learning is a promising technique for solving few-shot fault prediction problems, which have attracted the attention of many researchers in recent years. Existing meta-learning methods for time series prediction, which predominantly rely on random and similarity matching-based task partitioning, face three major limitations: (1) feature exploitation inefficiency; (2) suboptimal task data allocation; and (3) limited robustness with small samples. To overcome these limitations, we introduce a novel 'pseudo meta-task' partitioning scheme that treats a continuous time period of a time series as a meta-task, composed of multiple successive short time periods. Employing continuous time series as pseudo meta-tasks allows our method to extract more comprehensive features and relationships from the data, resulting in more accurate predictions. Moreover, we introduce a differential algorithm to enhance the robustness of our method across different datasets. Through extensive experiments on several fault and time series prediction datasets, we demonstrate that our approach substantially enhances prediction performance and generalization capability under both few-shot and general conditions.

Code LLMs have emerged as a specialized research field, with remarkable studies dedicated to enhancing model's coding capabilities through fine-tuning on pre-trained models. Previous fine-tuning approaches were typically tailored to specific downstream tasks or scenarios, which meant separate fine-tuning for each task, requiring extensive training resources and posing challenges in terms of deployment and maintenance. Furthermore, these approaches failed to leverage the inherent interconnectedness among different code-related tasks. To overcome these limitations, we present a multi-task fine-tuning framework, MFTcoder, that enables simultaneous and parallel fine-tuning on multiple tasks. By incorporating various loss functions, we effectively address common challenges in multi-task learning, such as data imbalance, varying difficulty levels, and inconsistent convergence speeds. Extensive experiments have conclusively demonstrated that our multi-task fine-tuning approach outperforms both individual fine-tuning on single tasks and fine-tuning on a mixed ensemble of tasks. Moreover, MFTcoder offers efficient training capabilities, including efficient data tokenization modes and PEFT fine-tuning, resulting in significantly improved speed compared to traditional fine-tuning methods. MFTcoder seamlessly integrates with several mainstream open-source LLMs, such as CodeLLama and Qwen. Leveraging the CodeLLama foundation, our MFTcoder fine-tuned model, \textsc{CodeFuse-CodeLLama-34B}, achieves an impressive pass@1 score of 74.4\% on the HumaneEval benchmark, surpassing GPT-4 performance (67\%, zero-shot). MFTCoder is open-sourced at \url{https://github.com/codefuse-ai/MFTCOder}

Developing fast surrogates for Partial Differential Equations (PDEs) will accelerate design and optimization in almost all scientific and engineering applications. Neural networks have been receiving ever-increasing attention and demonstrated remarkable success in computational modeling of PDEs, however; their prediction accuracy is not at the level of full deployment. In this work, we utilize the transformer architecture, the backbone of numerous state-of-the-art AI models, to learn the dynamics of physical systems as the mixing of spatial patterns learned by a convolutional autoencoder. Moreover, we incorporate the idea of multi-scale hierarchical time-stepping to increase the prediction speed and decrease accumulated error over time. Our model achieves similar or better results in predicting the time-evolution of Navier-Stokes equations compared to the powerful Fourier Neural Operator (FNO) and two transformer-based neural operators OFormer and Galerkin Transformer.

Sequential processes in real-world often carry a combination of simple subsystems that interact with each other in certain forms. Learning such a modular structure can often improve the robustness against environmental changes. In this paper, we propose recurrent independent Grid LSTM (RigLSTM), composed of a group of independent LSTM cells that cooperate with each other, for exploiting the underlying modular structure of the target task. Our model adopts cell selection, input feature selection, hidden state selection, and soft state updating to achieve a better generalization ability on the basis of the recent Grid LSTM for the tasks where some factors differ between training and evaluation. Specifically, at each time step, only a fraction of cells are activated, and the activated cells select relevant inputs and cells to communicate with. At the end of one time step, the hidden states of the activated cells are updated by considering the relevance between the inputs and the hidden states from the last and current time steps. Extensive experiments on diversified sequential modeling tasks are conducted to show the superior generalization ability when there exist changes in the testing environment. Source code is available at \url{https://github.com/ziyuwwang/rig-lstm}.

We consider the inventory management problem, where the goal is to balance conflicting objectives such as availability and wastage of a large range of products in a store. We propose a reinforcement learning (RL) approach that utilises General Value Functions (GVFs) to derive domain-backed inventory replenishment policies. The inventory replenishment decisions are modelled as a sequential decision making problem, which is challenging due to uncertain demand and the existence of aggregate (cross-product) constraints. In existing literature, GVFs have primarily been used for auxiliary task learning. We use this capability to train GVFs on domain-critical characteristics such as prediction of stock-out probability and wastage quantity. Using this domain expertise for more effective exploration, we train an RL agent to compute the inventory replenishment quantities for a large range of products (up to 6000 in the reported experiments), which share aggregate constraints such as the total weight/volume per delivery. Additionally, we show that the GVF predictions can be used to provide additional domain-backed insights into the decisions proposed by the RL agent. Finally, since the environment dynamics are fully transferred, the trained GVFs can be used for faster adaptation to vastly different business objectives (for example, due to the start of a promotional period or due to deployment in a new customer environment).

Bayesian optimization is a framework for optimizing functions that are costly or time-consuming to evaluate. Recent work has considered Bayesian optimization of function networks (BOFN), where the objective function is computed via a network of functions, each taking as input the output of previous nodes in the network and additional parameters. Exploiting this network structure has been shown to yield significant performance improvements. Existing BOFN algorithms for general-purpose networks are required to evaluate the full network at each iteration. However, many real-world applications allow evaluating nodes individually. To take advantage of this opportunity, we propose a novel knowledge gradient acquisition function for BOFN that chooses which node to evaluate as well as the inputs for that node in a cost-aware fashion. This approach can dramatically reduce query costs by allowing the evaluation of part of the network at a lower cost relative to evaluating the entire network. We provide an efficient approach to optimizing our acquisition function and show it outperforms existing BOFN methods and other benchmarks across several synthetic and real-world problems. Our acquisition function is the first to enable cost-aware optimization of a broad class of function networks.

Knowledge distillation aims to transfer useful information from a teacher network to a student network, with the primary goal of improving the student's performance for the task at hand. Over the years, there has a been a deluge of novel techniques and use cases of knowledge distillation. Yet, despite the various improvements, there seems to be a glaring gap in the community's fundamental understanding of the process. Specifically, what is the knowledge that gets distilled in knowledge distillation? In other words, in what ways does the student become similar to the teacher? Does it start to localize objects in the same way? Does it get fooled by the same adversarial samples? Does its data invariance properties become similar? Our work presents a comprehensive study to try to answer these questions. We show that existing methods can indeed indirectly distill these properties beyond improving task performance. We further study why knowledge distillation might work this way, and show that our findings have practical implications as well.

While current deep learning algorithms have been successful for a wide variety of artificial intelligence (AI) tasks, including those involving structured image data, they present deep neurophysiological conceptual issues due to their reliance on the gradients that are computed by backpropagation of errors (backprop). Gradients are required to obtain synaptic weight adjustments but require knowledge of feed-forward activities in order to conduct backward propagation, a biologically implausible process. This is known as the "weight transport problem". Therefore, in this work, we present a more biologically plausible approach towards solving the weight transport problem for image data. This approach, which we name the error kernel driven activation alignment (EKDAA) algorithm, accomplishes through the introduction of locally derived error transmission kernels and error maps. Like standard deep learning networks, EKDAA performs the standard forward process via weights and activation functions; however, its backward error computation involves adaptive error kernels that propagate local error signals through the network. The efficacy of EKDAA is demonstrated by performing visual-recognition tasks on the Fashion MNIST, CIFAR-10 and SVHN benchmarks, along with demonstrating its ability to extract visual features from natural color images. Furthermore, in order to demonstrate its non-reliance on gradient computations, results are presented for an EKDAA trained CNN that employs a non-differentiable activation function.

The widespread use of ChatGPT and other emerging technology powered by generative artificial intelligence (AI) has drawn much attention to potential ethical issues, especially in high-stakes applications such as healthcare. However, less clear is how to resolve such issues beyond following guidelines and regulations that are still under discussion and development. On the other hand, other types of generative AI have been used to synthesize images and other types of data for research and practical purposes, which have resolved some ethical issues and exposed other ethical issues, but such technology is less often the focus of ongoing ethical discussions. Here we highlight gaps in current ethical discussions of generative AI via a systematic scoping review of relevant existing research in healthcare, and reduce the gaps by proposing an ethics checklist for comprehensive assessment and transparent documentation of ethical discussions in generative AI development. While the checklist can be readily integrated into the current peer review and publication system to enhance generative AI research, it may also be used in broader settings to disclose ethics-related considerations in generative AI-powered products (or real-life applications of such products) to help users establish reasonable trust in their capabilities.

When agents swarm to execute a mission, some of them frequently exhibit sudden failure, as observed from the command base. It is generally difficult to determine whether a failure is caused by actuators (hypothesis, $h_a$) or sensors (hypothesis, $h_s$) by solely relying on the communication between the command base and concerning agent. However, by instigating collusion between the agents, the cause of failure can be identified; in other words, we expect to detect corresponding displacements for $h_a$ but not for $h_s$. In this study, we considered the question as to whether artificial intelligence can autonomously generate an action plan $\boldsymbol{g}$ to pinpoint the cause as aforedescribed. Because the expected response to $\boldsymbol{g}$ generally depends upon the adopted hypothesis [let the difference be denoted by $D(\boldsymbol{g})$], a formulation that uses $D\left(\boldsymbol{g}\right)$ to pinpoint the cause can be made. Although a $\boldsymbol{g}^*$ that maximizes $D(\boldsymbol{g})$ would be a suitable action plan for this task, such an optimization is difficult to achieve using the conventional gradient method, as $D(\boldsymbol{g})$ becomes nonzero in rare events such as collisions with other agents, and most swarm actions $\boldsymbol{g}$ give $D(\boldsymbol{g})=0$. In other words, throughout almost the entire space of $\boldsymbol{g}$, $D(\boldsymbol{g})$ has zero gradient, and the gradient method is not applicable. To overcome this problem, we formulated an action plan using Q-table reinforcement learning. Surprisingly, the optimal action plan generated via reinforcement learning presented a human-like solution to pinpoint the problem by colliding other agents with the failed agent. Using this simple prototype, we demonstrated the potential of applying Q-table reinforcement learning methods to plan autonomous actions to pinpoint the causes of failure.

Machine learning is expected to enable the next Industrial Revolution. However, lacking standardized and automated assembly networks, ML faces significant challenges to meet ever-growing enterprise demands and empower broad industries. In the Perspective, we argue that ML needs to first complete its own Industrial Revolution, elaborate on how to best achieve its goals, and discuss new opportunities to enable rapid translation from ML's innovation frontier to mass production and utilization.

Thermal images have various applications in security, medical and industrial domains. This paper proposes a practical deep-learning approach for thermal image classification. Accurate and efficient classification of thermal images poses a significant challenge across various fields due to the complex image content and the scarcity of annotated datasets. This work uses a convolutional neural network (CNN) architecture, specifically ResNet-50 and VGGNet-19, to extract features from thermal images. This work also applied Kalman filter on thermal input images for image denoising. The experimental results demonstrate the effectiveness of the proposed approach in terms of accuracy and efficiency.

Clustering of time series is a well-studied problem, with applications ranging from quantitative, personalized models of metabolism obtained from metabolite concentrations to state discrimination in quantum information theory. We consider a variant, where given a set of trajectories and a number of parts, we jointly partition the set of trajectories and learn linear dynamical system (LDS) models for each part, so as to minimize the maximum error across all the models. We present globally convergent methods and EM heuristics, accompanied by promising computational results.

Test-Time Adaptation (TTA) allows to update pre-trained models to changing data distributions at deployment time. While early work tested these algorithms for individual fixed distribution shifts, recent work proposed and applied methods for continual adaptation over long timescales. To examine the reported progress in the field, we propose the Continually Changing Corruptions (CCC) benchmark to measure asymptotic performance of TTA techniques. We find that eventually all but one state-of-the-art methods collapse and perform worse than a non-adapting model, including models specifically proposed to be robust to performance collapse. In addition, we introduce a simple baseline, "RDumb", that periodically resets the model to its pretrained state. RDumb performs better or on par with the previously proposed state-of-the-art in all considered benchmarks. Our results show that previous TTA approaches are neither effective at regularizing adaptation to avoid collapse nor able to outperform a simplistic resetting strategy.

Artificial intelligence (AI) models trained using medical images for clinical tasks often exhibit bias in the form of disparities in performance between subgroups. Since not all sources of biases in real-world medical imaging data are easily identifiable, it is challenging to comprehensively assess how those biases are encoded in models, and how capable bias mitigation methods are at ameliorating performance disparities. In this article, we introduce a novel analysis framework for systematically and objectively investigating the impact of biases in medical images on AI models. We developed and tested this framework for conducting controlled in silico trials to assess bias in medical imaging AI using a tool for generating synthetic magnetic resonance images with known disease effects and sources of bias. The feasibility is showcased by using three counterfactual bias scenarios to measure the impact of simulated bias effects on a convolutional neural network (CNN) classifier and the efficacy of three bias mitigation strategies. The analysis revealed that the simulated biases resulted in expected subgroup performance disparities when the CNN was trained on the synthetic datasets. Moreover, reweighing was identified as the most successful bias mitigation strategy for this setup, and we demonstrated how explainable AI methods can aid in investigating the manifestation of bias in the model using this framework. Developing fair AI models is a considerable challenge given that many and often unknown sources of biases can be present in medical imaging datasets. In this work, we present a novel methodology to objectively study the impact of biases and mitigation strategies on deep learning pipelines, which can support the development of clinical AI that is robust and responsible.

Industrial particle accelerators inherently operate in much dirtier environments than typical research accelerators. This leads to an increase in noise both in the RF system and in other electronic systems. Combined with the fact that industrial accelerators are mass produced, there is less attention given to optimizing the performance of an individual system. As a result, industrial systems tend to under perform considering their hardware hardware capabilities. With the growing demand for accelerators for medical sterilization, food irradiation, cancer treatment, and imaging, improving the signal processing of these machines will increase the margin for the deployment of these systems. Our work is focusing on using machine learning techniques to reduce the noise of RF signals used for pulse-to-pulse feedback in industrial accelerators. We will review our algorithms, simulation results, and results working with measured data. We will then discuss next steps for deployment and testing on an industrial system.

Dynamic shape computations have become critical in modern machine learning workloads, especially in emerging large language models. The success of these models has driven demand for deploying them to a diverse set of backend environments. In this paper, we present Relax, a compiler abstraction for optimizing end-to-end dynamic machine learning workloads. Relax introduces first-class symbolic shape annotations to track dynamic shape computations globally across the program. It also introduces a cross-level abstraction that encapsulates computational graphs, loop-level tensor programs, and library calls in a single representation to enable cross-level optimizations. We build an end-to-end compilation framework using the proposed approach to optimize dynamic shape models. Experimental results on large language models show that Relax delivers performance competitive with state-of-the-art hand-optimized systems across platforms and enables deployment of emerging dynamic models to a broader set of environments, including mobile phones, embedded devices, and web browsers.

Graph research, the systematic study of interconnected data points represented as graphs, plays a vital role in capturing intricate relationships within networked systems. However, in the real world, as graphs scale up, concerns about data security among different data-owning agencies arise, hindering information sharing and, ultimately, the utilization of graph data. Therefore, establishing a mutual trust mechanism among graph agencies is crucial for unlocking the full potential of graphs. Here, we introduce a Cooperative Network Learning (CNL) framework to ensure secure graph computing for various graph tasks. Essentially, this CNL framework unifies the local and global perspectives of GNN computing with distributed data for an agency by virtually connecting all participating agencies as a global graph without a fixed central coordinator. Inter-agency computing is protected by various technologies inherent in our framework, including homomorphic encryption and secure transmission. Moreover, each agency has a fair right to design or employ various graph learning models from its local or global perspective. Thus, CNL can collaboratively train GNN models based on decentralized graphs inferred from local and global graphs. Experiments on contagion dynamics prediction and traditional graph tasks (i.e., node classification and link prediction) demonstrate that our CNL architecture outperforms state-of-the-art GNNs developed at individual sites, revealing that CNL can provide a reliable, fair, secure, privacy-preserving, and global perspective to build effective and personalized models for network applications. We hope this framework will address privacy concerns in graph-related research and integrate decentralized graph data structures to benefit the network research community in cooperation and innovation.

We propose $\textsf{ScaledGD($\lambda$)}$, a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, $\textsf{ScaledGD($\lambda$)}$ starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, $\textsf{ScaledGD($\lambda$)}$ is remarkably robust to ill-conditioning compared to vanilla gradient descent ($\textsf{GD}$) even with overprameterization. Specifically, we show that, under the Gaussian design, $\textsf{ScaledGD($\lambda$)}$ converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla $\textsf{GD}$ which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

Score-based diffusion models (SBDM) have recently emerged as state-of-the-art approaches for image generation. Existing SBDMs are typically formulated in a finite-dimensional setting, where images are considered as tensors of finite size. This paper develops SBDMs in the infinite-dimensional setting, that is, we model the training data as functions supported on a rectangular domain. Besides the quest for generating images at ever higher resolution, our primary motivation is to create a well-posed infinite-dimensional learning problem so that we can discretize it consistently on multiple resolution levels. We thereby intend to obtain diffusion models that generalize across different resolution levels and improve the efficiency of the training process. We demonstrate how to overcome two shortcomings of current SBDM approaches in the infinite-dimensional setting. First, we modify the forward process to ensure that the latent distribution is well-defined in the infinite-dimensional setting using the notion of trace class operators. We derive the reverse processes for finite approximations. Second, we illustrate that approximating the score function with an operator network is beneficial for multilevel training. After deriving the convergence of the discretization and the approximation of multilevel training, we implement an infinite-dimensional SBDM approach and show the first promising results on MNIST and Fashion-MNIST, underlining our developed theory.

We investigate the online overlapping batch-means covariance estimator for Stochastic Gradient Descent (SGD) under Markovian sampling. Convergence rates of order $O\big(\sqrt{d}\,n^{-1/8}(\log n)^{1/4}\big)$ and $O\big(\sqrt{d}\,n^{-1/8}\big)$ are established under state-dependent and state-independent Markovian sampling, respectively, where $d$ is the dimensionality and $n$ denotes observations or SGD iterations. These rates match the best-known convergence rate for independent and identically distributed (i.i.d) data. Our analysis overcomes significant challenges that arise due to Markovian sampling, leading to the introduction of additional error terms and complex dependencies between the blocks of the batch-means covariance estimator. Moreover, we establish the convergence rate for the first four moments of the $\ell_2$ norm of the error of SGD dynamics under state-dependent Markovian data, which holds potential interest as an independent result. Numerical illustrations provide confidence intervals for SGD in linear and logistic regression models under Markovian sampling. Additionally, our method is applied to the strategic classification with logistic regression, where adversaries adaptively modify features during training to affect target class classification.

Recent studies in reinforcement learning (RL) have made significant progress by leveraging function approximation to alleviate the sample complexity hurdle for better performance. Despite the success, existing provably efficient algorithms typically rely on the accessibility of immediate feedback upon taking actions. The failure to account for the impact of delay in observations can significantly degrade the performance of real-world systems due to the regret blow-up. In this work, we tackle the challenge of delayed feedback in RL with linear function approximation by employing posterior sampling, which has been shown to empirically outperform the popular UCB algorithms in a wide range of regimes. We first introduce Delayed-PSVI, an optimistic value-based algorithm that effectively explores the value function space via noise perturbation with posterior sampling. We provide the first analysis for posterior sampling algorithms with delayed feedback in RL and show our algorithm achieves $\widetilde{O}(\sqrt{d^3H^3 T} + d^2H^2 E[\tau])$ worst-case regret in the presence of unknown stochastic delays. Here $E[\tau]$ is the expected delay. To further improve its computational efficiency and to expand its applicability in high-dimensional RL problems, we incorporate a gradient-based approximate sampling scheme via Langevin dynamics for Delayed-LPSVI, which maintains the same order-optimal regret guarantee with $\widetilde{O}(dHK)$ computational cost. Empirical evaluations are performed to demonstrate the statistical and computational efficacy of our algorithms.

Energy-Based Models (EBMs) offer a versatile framework for modeling complex data distributions. However, training and sampling from EBMs continue to pose significant challenges. The widely-used Denoising Score Matching (DSM) method for scalable EBM training suffers from inconsistency issues, causing the energy model to learn a `noisy' data distribution. In this work, we propose an efficient sampling framework: (pseudo)-Gibbs sampling with moment matching, which enables effective sampling from the underlying clean model when given a `noisy' model that has been well-trained via DSM. We explore the benefits of our approach compared to related methods and demonstrate how to scale the method to high-dimensional datasets.

We consider the problem of solving a family of parametric mixed-integer linear optimization problems where some entries in the input data change. We introduce the concept of $cutting-plane$ $layer$ (CPL), $i.e.$, a differentiable cutting-plane generator mapping the problem data and previous iterates to cutting planes. We propose a CPL implementation to generate split cuts, and by combining several CPLs, we devise a differentiable cutting-plane algorithm that exploits the repeated nature of parametric instances. In an offline phase, we train our algorithm by updating the parameters controlling the CPLs, thus altering cut generation. Once trained, our algorithm computes, with predictable execution times and a fixed number of cuts, solutions with low integrality gaps. Preliminary computational tests show that our algorithm generalizes on unseen instances and captures underlying parametric structures.

We propose a novel interpretable deep neural network for text classification, called ProtoryNet, based on a new concept of prototype trajectories. Motivated by the prototype theory in modern linguistics, ProtoryNet makes a prediction by finding the most similar prototype for each sentence in a text sequence and feeding an RNN backbone with the proximity of each sentence to the corresponding active prototype. The RNN backbone then captures the temporal pattern of the prototypes, which we refer to as prototype trajectories. Prototype trajectories enable intuitive and fine-grained interpretation of the reasoning process of the RNN model, in resemblance to how humans analyze texts. We also design a prototype pruning procedure to reduce the total number of prototypes used by the model for better interpretability. Experiments on multiple public data sets show that ProtoryNet is more accurate than the baseline prototype-based deep neural net and reduces the performance gap compared to state-of-the-art black-box models. In addition, after prototype pruning, the resulting ProtoryNet models only need less than or around 20 prototypes for all datasets, which significantly benefits interpretability. Furthermore, we report a survey result indicating that human users find ProtoryNet more intuitive and easier to understand than other prototype-based methods.

Reinforcement learning from Human Feedback (RLHF) learns from preference signals, while standard Reinforcement Learning (RL) directly learns from reward signals. Preferences arguably contain less information than rewards, which makes preference-based RL seemingly more difficult. This paper theoretically proves that, for a wide range of preference models, we can solve preference-based RL directly using existing algorithms and techniques for reward-based RL, with small or no extra costs. Specifically, (1) for preferences that are drawn from reward-based probabilistic models, we reduce the problem to robust reward-based RL that can tolerate small errors in rewards; (2) for general arbitrary preferences where the objective is to find the von Neumann winner, we reduce the problem to multiagent reward-based RL which finds Nash equilibria for factored Markov games with a restricted set of policies. The latter case can be further reduced to adversarial MDP when preferences only depend on the final state. We instantiate all reward-based RL subroutines by concrete provable algorithms, and apply our theory to a large class of models including tabular MDPs and MDPs with generic function approximation. We further provide guarantees when K-wise comparisons are available.

With the prosperity of contrastive learning for visual representation learning (VCL), it is also adapted to the graph domain and yields promising performance. However, through a systematic study of various graph contrastive learning (GCL) methods, we observe that some common phenomena among existing GCL methods that are quite different from the original VCL methods, including 1) positive samples are not a must for GCL; 2) negative samples are not necessary for graph classification, neither for node classification when adopting specific normalization modules; 3) data augmentations have much less influence on GCL, as simple domain-agnostic augmentations (e.g., Gaussian noise) can also attain fairly good performance. By uncovering how the implicit inductive bias of GNNs works in contrastive learning, we theoretically provide insights into the above intriguing properties of GCL. Rather than directly porting existing VCL methods to GCL, we advocate for more attention toward the unique architecture of graph learning and consider its implicit influence when designing GCL methods. Code is available at https: //github.com/PKU-ML/ArchitectureMattersGCL.

Tuning hyperparameters, such as the stepsize, presents a major challenge of training machine learning models. To address this challenge, numerous adaptive optimization algorithms have been developed that achieve near-optimal complexities, even when stepsizes are independent of problem-specific parameters, provided that the loss function is $L$-smooth. However, as the assumption is relaxed to the more realistic $(L_0, L_1)$-smoothness, all existing convergence results still necessitate tuning of the stepsize. In this study, we demonstrate that Normalized Stochastic Gradient Descent with Momentum (NSGD-M) can achieve a (nearly) rate-optimal complexity without prior knowledge of any problem parameter, though this comes at the cost of introducing an exponential term dependent on $L_1$ in the complexity. We further establish that this exponential term is inevitable to such schemes by introducing a theoretical framework of lower bounds tailored explicitly for parameter-agnostic algorithms. Interestingly, in deterministic settings, the exponential factor can be neutralized by employing Gradient Descent with a Backtracking Line Search. To the best of our knowledge, these findings represent the first parameter-agnostic convergence results under the generalized smoothness condition. Our empirical experiments further confirm our theoretical insights.

Sampling a target probability distribution with an unknown normalization constant is a fundamental challenge in computational science and engineering. Recent work shows that algorithms derived by considering gradient flows in the space of probability measures open up new avenues for algorithm development. This paper makes three contributions to this sampling approach by scrutinizing the design components of such gradient flows. Any instantiation of a gradient flow for sampling needs an energy functional and a metric to determine the flow, as well as numerical approximations of the flow to derive algorithms. Our first contribution is to show that the Kullback-Leibler divergence, as an energy functional, has the unique property (among all f-divergences) that gradient flows resulting from it do not depend on the normalization constant of the target distribution. Our second contribution is to study the choice of metric from the perspective of invariance. The Fisher-Rao metric is known as the unique choice (up to scaling) that is diffeomorphism invariant. As a computationally tractable alternative, we introduce a relaxed, affine invariance property for the metrics and gradient flows. In particular, we construct various affine invariant Wasserstein and Stein gradient flows. Affine invariant gradient flows are shown to behave more favorably than their non-affine-invariant counterparts when sampling highly anisotropic distributions, in theory and by using particle methods. Our third contribution is to study, and develop efficient algorithms based on Gaussian approximations of the gradient flows; this leads to an alternative to particle methods. We establish connections between various Gaussian approximate gradient flows, discuss their relation to gradient methods arising from parametric variational inference, and study their convergence properties both theoretically and numerically.

Uncertainty quantification is crucial for the deployment of image restoration models in safety-critical domains, like autonomous driving and biological imaging. To date, methods for uncertainty visualization have mainly focused on per-pixel estimates. Yet, a heatmap of per-pixel variances is typically of little practical use, as it does not capture the strong correlations between pixels. A more natural measure of uncertainty corresponds to the variances along the principal components (PCs) of the posterior distribution. Theoretically, the PCs can be computed by applying PCA on samples generated from a conditional generative model for the input image. However, this requires generating a very large number of samples at test time, which is painfully slow with the current state-of-the-art (diffusion) models. In this work, we present a method for predicting the PCs of the posterior distribution for any input image, in a single forward pass of a neural network. Our method can either wrap around a pre-trained model that was trained to minimize the mean square error (MSE), or can be trained from scratch to output both a predicted image and the posterior PCs. We showcase our method on multiple inverse problems in imaging, including denoising, inpainting, super-resolution, and biological image-to-image translation. Our method reliably conveys instance-adaptive uncertainty directions, achieving uncertainty quantification comparable with posterior samplers while being orders of magnitude faster. Code and examples are available at https://eliasnehme.github.io/NPPC/

Generative models of observations under interventions have been a vibrant topic of interest across machine learning and the sciences in recent years. For example, in drug discovery, there is a need to model the effects of diverse interventions on cells in order to characterize unknown biological mechanisms of action. We propose the Sparse Additive Mechanism Shift Variational Autoencoder, SAMS-VAE, to combine compositionality, disentanglement, and interpretability for perturbation models. SAMS-VAE models the latent state of a perturbed sample as the sum of a local latent variable capturing sample-specific variation and sparse global variables of latent intervention effects. Crucially, SAMS-VAE sparsifies these global latent variables for individual perturbations to identify disentangled, perturbation-specific latent subspaces that are flexibly composable. We evaluate SAMS-VAE both quantitatively and qualitatively on a range of tasks using two popular single cell sequencing datasets. In order to measure perturbation-specific model-properties, we also introduce a framework for evaluation of perturbation models based on average treatment effects with links to posterior predictive checks. SAMS-VAE outperforms comparable models in terms of generalization across in-distribution and out-of-distribution tasks, including a combinatorial reasoning task under resource paucity, and yields interpretable latent structures which correlate strongly to known biological mechanisms. Our results suggest SAMS-VAE is an interesting addition to the modeling toolkit for machine learning-driven scientific discovery.

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such as machining errors, execution noise, or contextual variability. This uncertainty deviates the input from the intended value before evaluation, resulting in significant performance fluctuations in the final result. In this paper, we introduce a novel robust Bayesian Optimization algorithm, AIRBO, which can effectively identify a robust optimum that performs consistently well under arbitrary input uncertainty. Our method directly models the uncertain inputs of arbitrary distributions by empowering the Gaussian Process with the Maximum Mean Discrepancy (MMD) and further accelerates the posterior inference via Nystrom approximation. Rigorous theoretical regret bound is established under MMD estimation error and extensive experiments on synthetic functions and real problems demonstrate that our approach can handle various input uncertainties and achieve state-of-the-art performance.

Gaussian processes are frequently deployed as part of larger machine learning and decision-making systems, for instance in geospatial modeling, Bayesian optimization, or in latent Gaussian models. Within a system, the Gaussian process model needs to perform in a stable and reliable manner to ensure it interacts correctly with other parts of the system. In this work, we study the numerical stability of scalable sparse approximations based on inducing points. To do so, we first review numerical stability, and illustrate typical situations in which Gaussian process models can be unstable. Building on stability theory originally developed in the interpolation literature, we derive sufficient and in certain cases necessary conditions on the inducing points for the computations performed to be numerically stable. For low-dimensional tasks such as geospatial modeling, we propose an automated method for computing inducing points satisfying these conditions. This is done via a modification of the cover tree data structure, which is of independent interest. We additionally propose an alternative sparse approximation for regression with a Gaussian likelihood which trades off a small amount of performance to further improve stability. We provide illustrative examples showing the relationship between stability of calculations and predictive performance of inducing point methods on spatial tasks.

Conditional Neural Processes (CNPs) are a class of metalearning models popular for combining the runtime efficiency of amortized inference with reliable uncertainty quantification. Many relevant machine learning tasks, such as in spatio-temporal modeling, Bayesian Optimization and continuous control, inherently contain equivariances -- for example to translation -- which the model can exploit for maximal performance. However, prior attempts to include equivariances in CNPs do not scale effectively beyond two input dimensions. In this work, we propose Relational Conditional Neural Processes (RCNPs), an effective approach to incorporate equivariances into any neural process model. Our proposed method extends the applicability and impact of equivariant neural processes to higher dimensions. We empirically demonstrate the competitive performance of RCNPs on a large array of tasks naturally containing equivariances.

Wasserstein distributionally robust estimators have emerged as powerful models for prediction and decision-making under uncertainty. These estimators provide attractive generalization guarantees: the robust objective obtained from the training distribution is an exact upper bound on the true risk with high probability. However, existing guarantees either suffer from the curse of dimensionality, are restricted to specific settings, or lead to spurious error terms. In this paper, we show that these generalization guarantees actually hold on general classes of models, do not suffer from the curse of dimensionality, and can even cover distribution shifts at testing. We also prove that these results carry over to the newly-introduced regularized versions of Wasserstein distributionally robust problems.

Field-programmable gate arrays (FPGAs) are widely used to implement deep learning inference. Standard deep neural network inference involves the computation of interleaved linear maps and nonlinear activation functions. Prior work for ultra-low latency implementations has hardcoded the combination of linear maps and nonlinear activations inside FPGA lookup tables (LUTs). Our work is motivated by the idea that the LUTs in an FPGA can be used to implement a much greater variety of functions than this. In this paper, we propose a novel approach to training neural networks for FPGA deployment using multivariate polynomials as the basic building block. Our method takes advantage of the flexibility offered by the soft logic, hiding the polynomial evaluation inside the LUTs with minimal overhead. We show that by using polynomial building blocks, we can achieve the same accuracy using considerably fewer layers of soft logic than by using linear functions, leading to significant latency and area improvements. We demonstrate the effectiveness of this approach in three tasks: network intrusion detection, jet identification at the CERN Large Hadron Collider, and handwritten digit recognition using the MNIST dataset.

We introduce a differentiable clustering method based on stochastic perturbations of minimum-weight spanning forests. This allows us to include clustering in end-to-end trainable pipelines, with efficient gradients. We show that our method performs well even in difficult settings, such as data sets with high noise and challenging geometries. We also formulate an ad hoc loss to efficiently learn from partial clustering data using this operation. We demonstrate its performance on several data sets for supervised and semi-supervised tasks.

In the growing domain of scientific machine learning, in-context operator learning has shown notable potential in learning operators and solving differential equations using prompted data, during the inference stage without weight updates. However, the current model's overdependence on function data, may inadvertently overlook the invaluable human insight into the operator. To address this, we present a transformation of in-context operator learning into a multi-modal paradigm. In particular, we take inspiration from the recent success of large language models, and propose using "captions" to integrate human knowledge about the operator, expressed through natural language descriptions and equations. Also, we introduce a novel approach to train a language-model-like architecture, or directly fine-tune existing language models, for in-context operator learning. We beat the baseline on single-modal learning tasks, and also demonstrated the effectiveness of multi-modal learning in enhancing performance and reducing function data requirements. The proposed method not only significantly improves in-context operator learning, but also creates a new path for the application of language models.

Data pruning algorithms are commonly used to reduce the memory and computational cost of the optimization process. Recent empirical results reveal that random data pruning remains a strong baseline and outperforms most existing data pruning methods in the high compression regime, i.e., where a fraction of $30\%$ or less of the data is kept. This regime has recently attracted a lot of interest as a result of the role of data pruning in improving the so-called neural scaling laws; in [Sorscher et al.], the authors showed the need for high-quality data pruning algorithms in order to beat the sample power law. In this work, we focus on score-based data pruning algorithms and show theoretically and empirically why such algorithms fail in the high compression regime. We demonstrate ``No Free Lunch" theorems for data pruning and present calibration protocols that enhance the performance of existing pruning algorithms in this high compression regime using randomization.

Whenever a clinician reflects on the efficacy of a sequence of treatment decisions for a patient, they may try to identify critical time steps where, had they made different decisions, the patient's health would have improved. While recent methods at the intersection of causal inference and reinforcement learning promise to aid human experts, as the clinician above, to retrospectively analyze sequential decision making processes, they have focused on environments with finitely many discrete states. However, in many practical applications, the state of the environment is inherently continuous in nature. In this paper, we aim to fill this gap. We start by formally characterizing a sequence of discrete actions and continuous states using finite horizon Markov decision processes and a broad class of bijective structural causal models. Building upon this characterization, we formalize the problem of finding counterfactually optimal action sequences and show that, in general, we cannot expect to solve it in polynomial time. Then, we develop a search method based on the $A^*$ algorithm that, under a natural form of Lipschitz continuity of the environment's dynamics, is guaranteed to return the optimal solution to the problem. Experiments on real clinical data show that our method is very efficient in practice, and it has the potential to offer interesting insights for sequential decision making tasks.

Deep reinforcement learning (RL) works impressively in some environments and fails catastrophically in others. Ideally, RL theory should be able to provide an understanding of why this is, i.e. bounds predictive of practical performance. Unfortunately, current theory does not quite have this ability. We compare standard deep RL algorithms to prior sample complexity bounds by introducing a new dataset, BRIDGE. It consists of 155 deterministic MDPs from common deep RL benchmarks, along with their corresponding tabular representations, which enables us to exactly compute instance-dependent bounds. We choose to focus on deterministic environments because they share many interesting properties of stochastic environments, but are easier to analyze. Using BRIDGE, we find that prior bounds do not correlate well with when deep RL succeeds vs. fails, but discover a surprising property that does. When actions with the highest Q-values under the random policy also have the highest Q-values under the optimal policy (i.e. when it is optimal to be greedy on the random policy's Q function), deep RL tends to succeed; when they don't, deep RL tends to fail. We generalize this property into a new complexity measure of an MDP that we call the effective horizon, which roughly corresponds to how many steps of lookahead search would be needed in that MDP in order to identify the next optimal action, when leaf nodes are evaluated with random rollouts. Using BRIDGE, we show that the effective horizon-based bounds are more closely reflective of the empirical performance of PPO and DQN than prior sample complexity bounds across four metrics. We also find that, unlike existing bounds, the effective horizon can predict the effects of using reward shaping or a pre-trained exploration policy. Our code and data are available at https://github.com/cassidylaidlaw/effective-horizon

Simply-verifiable mathematical conditions for existence, uniqueness and explicit analytical computation of minimal adversarial paths (MAP) and minimal adversarial distances (MAD) for (locally) uniquely-invertible classifiers, for generalized linear models (GLM), and for entropic AI (EAI) are formulated and proven. Practical computation of MAP and MAD, their comparison and interpretations for various classes of AI tools (for neuronal networks, boosted random forests, GLM and EAI) are demonstrated on the common synthetic benchmarks: on a double Swiss roll spiral and its extensions, as well as on the two biomedical data problems (for the health insurance claim predictions, and for the heart attack lethality classification). On biomedical applications it is demonstrated how MAP provides unique minimal patient-specific risk-mitigating interventions in the predefined subsets of accessible control variables.

Recently, the equivariance of models with respect to a group action has become an important topic of research in machine learning. However, imbuing an architecture with a specific group equivariance imposes a strong prior on the types of data transformations that the model expects to see. While strictly-equivariant models enforce symmetries, real-world data does not always conform to such strict equivariances, be it due to noise in the data or underlying physical laws that encode only approximate or partial symmetries. In such cases, the prior of strict equivariance can actually prove too strong and cause models to underperform on real-world data. Therefore, in this work we study a closely related topic, that of almost equivariance. We provide a definition of almost equivariance that differs from those extant in the current literature and give a practical method for encoding almost equivariance in models by appealing to the Lie algebra of a Lie group. Specifically, we define Lie algebra convolutions and demonstrate that they offer several benefits over Lie group convolutions, including being well-defined for non-compact groups. From there, we pivot to the realm of theory and demonstrate connections between the notions of equivariance and isometry and those of almost equivariance and almost isometry, respectively. We prove two existence theorems, one showing the existence of almost isometries within bounded distance of isometries of a general manifold, and another showing the converse for Hilbert spaces. We then extend these theorems to prove the existence of almost equivariant manifold embeddings within bounded distance of fully equivariant embedding functions, subject to certain constraints on the group action and the function class. Finally, we demonstrate the validity of our approach by benchmarking against datasets in fully equivariant and almost equivariant settings.

Transfer learning has become an essential technique to exploit information from the source domain to boost performance of the target task. Despite the prevalence in high-dimensional data, heterogeneity and heavy tails are insufficiently accounted for by current transfer learning approaches and thus may undermine the resulting performance. We propose a transfer learning procedure in the framework of high-dimensional quantile regression models to accommodate heterogeneity and heavy tails in the source and target domains. We establish error bounds of transfer learning estimator based on delicately selected transferable source domains, showing that lower error bounds can be achieved for critical selection criterion and larger sample size of source tasks. We further propose valid confidence interval and hypothesis test procedures for individual component of high-dimensional quantile regression coefficients by advocating a double transfer learning estimator, which is one-step debiased estimator for the transfer learning estimator wherein the technique of transfer learning is designed again. By adopting data-splitting technique, we advocate a transferability detection approach that guarantees to circumvent negative transfer and identify transferable sources with high probability. Simulation results demonstrate that the proposed method exhibits some favorable and compelling performances and the practical utility is further illustrated by analyzing a real example.

A common assumption in causal inference from observational data is that there is no hidden confounding. Yet it is, in general, impossible to verify this assumption from a single dataset. Under the assumption of independent causal mechanisms underlying the data-generating process, we demonstrate a way to detect unobserved confounders when having multiple observational datasets coming from different environments. We present a theory for testable conditional independencies that are only absent when there is hidden confounding and examine cases where we violate its assumptions: degenerate & dependent mechanisms, and faithfulness violations. Additionally, we propose a procedure to test these independencies and study its empirical finite-sample behavior using simulation studies and semi-synthetic data based on a real-world dataset. In most cases, the proposed procedure correctly predicts the presence of hidden confounding, particularly when the confounding bias is large.

In the field of reinforcement learning (RL), representation learning is a proven tool for complex image-based tasks, but is often overlooked for environments with low-level states, such as physical control problems. This paper introduces SALE, a novel approach for learning embeddings that model the nuanced interaction between state and action, enabling effective representation learning from low-level states. We extensively study the design space of these embeddings and highlight important design considerations. We integrate SALE and an adaptation of checkpoints for RL into TD3 to form the TD7 algorithm, which significantly outperforms existing continuous control algorithms. On OpenAI gym benchmark tasks, TD7 has an average performance gain of 276.7% and 50.7% over TD3 at 300k and 5M time steps, respectively, and works in both the online and offline settings.

We consider the problem of estimating the parameters of a Markov Random Field with hard-constraints using a single sample. As our main running examples, we use the $k$-SAT and the proper coloring models, as well as general $H$-coloring models; for all of these we obtain both positive and negative results. In contrast to the soft-constrained case, we show in particular that single-sample estimation is not always possible, and that the existence of an estimator is related to the existence of non-satisfiable instances. Our algorithms are based on the pseudo-likelihood estimator. We show variance bounds for this estimator using coupling techniques inspired, in the case of $k$-SAT, by Moitra's sampling algorithm (JACM, 2019); our positive results for colorings build on this new coupling approach. For $q$-colorings on graphs with maximum degree $d$, we give a linear-time estimator when $q>d+1$, whereas the problem is non-identifiable when $q\leq d+1$. For general $H$-colorings, we show that standard conditions that guarantee sampling, such as Dobrushin's condition, are insufficient for one-sample learning; on the positive side, we provide a general condition that is sufficient to guarantee linear-time learning and obtain applications for proper colorings and permissive models. For the $k$-SAT model on formulas with maximum degree $d$, we provide a linear-time estimator when $k\gtrsim 6.45\log d$, whereas the problem becomes non-identifiable when $k\lesssim \log d$.

Test log-likelihood is commonly used to compare different models of the same data or different approximate inference algorithms for fitting the same probabilistic model. We present simple examples demonstrating how comparisons based on test log-likelihood can contradict comparisons according to other objectives. Specifically, our examples show that (i) approximate Bayesian inference algorithms that attain higher test log-likelihoods need not also yield more accurate posterior approximations and (ii) conclusions about forecast accuracy based on test log-likelihood comparisons may not agree with conclusions based on root mean squared error.

Modern deep learning models with great expressive power can be trained to overfit the training data but still generalize well. This phenomenon is referred to as \textit{benign overfitting}. Recently, a few studies have attempted to theoretically understand benign overfitting in neural networks. However, these works are either limited to neural networks with smooth activation functions or to the neural tangent kernel regime. How and when benign overfitting can occur in ReLU neural networks remains an open problem. In this work, we seek to answer this question by establishing algorithm-dependent risk bounds for learning two-layer ReLU convolutional neural networks with label-flipping noise. We show that, under mild conditions, the neural network trained by gradient descent can achieve near-zero training loss and Bayes optimal test risk. Our result also reveals a sharp transition between benign and harmful overfitting under different conditions on data distribution in terms of test risk. Experiments on synthetic data back up our theory.

We study reinforcement learning (RL) with linear function approximation. For episodic time-inhomogeneous linear Markov decision processes (linear MDPs) whose transition probability can be parameterized as a linear function of a given feature mapping, we propose the first computationally efficient algorithm that achieves the nearly minimax optimal regret $\tilde O(d\sqrt{H^3K})$, where $d$ is the dimension of the feature mapping, $H$ is the planning horizon, and $K$ is the number of episodes. Our algorithm is based on a weighted linear regression scheme with a carefully designed weight, which depends on a new variance estimator that (1) directly estimates the variance of the optimal value function, (2) monotonically decreases with respect to the number of episodes to ensure a better estimation accuracy, and (3) uses a rare-switching policy to update the value function estimator to control the complexity of the estimated value function class. Our work provides a complete answer to optimal RL with linear MDPs, and the developed algorithm and theoretical tools may be of independent interest.

Kernel methods are learning algorithms that enjoy solid theoretical foundations while suffering from important computational limitations. Sketching, which consists in looking for solutions among a subspace of reduced dimension, is a well studied approach to alleviate these computational burdens. However, statistically-accurate sketches, such as the Gaussian one, usually contain few null entries, such that their application to kernel methods and their non-sparse Gram matrices remains slow in practice. In this paper, we show that sparsified Gaussian (and Rademacher) sketches still produce theoretically-valid approximations while allowing for important time and space savings thanks to an efficient \emph{decomposition trick}. To support our method, we derive excess risk bounds for both single and multiple output kernel problems, with generic Lipschitz losses, hereby providing new guarantees for a wide range of applications, from robust regression to multiple quantile regression. Our theoretical results are complemented with experiments showing the empirical superiority of our approach over SOTA sketching methods.

Modern policy optimization methods in reinforcement learning, such as TRPO and PPO, owe their success to the use of parameterized policies. However, while theoretical guarantees have been established for this class of algorithms, especially in the tabular setting, the use of general parameterization schemes remains mostly unjustified. In this work, we introduce a novel framework for policy optimization based on mirror descent that naturally accommodates general parameterizations. The policy class induced by our scheme recovers known classes, e.g., softmax, and generates new ones depending on the choice of mirror map. Using our framework, we obtain the first result that guarantees linear convergence for a policy-gradient-based method involving general parameterization. To demonstrate the ability of our framework to accommodate general parameterization schemes, we provide its sample complexity when using shallow neural networks, show that it represents an improvement upon the previous best results, and empirically validate the effectiveness of our theoretical claims on classic control tasks.

With the development of new sensors and monitoring devices, more sources of data become available to be used as inputs for machine learning models. These can on the one hand help to improve the accuracy of a model. On the other hand, combining these new inputs with historical data remains a challenge that has not yet been studied in enough detail. In this work, we propose a transfer learning algorithm that combines new and historical data with different input dimensions. This approach is easy to implement, efficient, with computational complexity equivalent to the ordinary least-squares method, and requires no hyperparameter tuning, making it straightforward to apply when the new data is limited. Different from other approaches, we provide a rigorous theoretical study of its robustness, showing that it cannot be outperformed by a baseline that utilizes only the new data. Our approach achieves state-of-the-art performance on 9 real-life datasets, outperforming the linear DSFT, another linear transfer learning algorithm, and performing comparably to non-linear DSFT.

Electrical load forecasting plays a crucial role in decision-making for power systems, including unit commitment and economic dispatch. The integration of renewable energy sources and the occurrence of external events, such as the COVID-19 pandemic, have rapidly increased uncertainties in load forecasting. The uncertainties in load forecasting can be divided into two types: epistemic uncertainty and aleatoric uncertainty. Separating these types of uncertainties can help decision-makers better understand where and to what extent the uncertainty is, thereby enhancing their confidence in the following decision-making. This paper proposes a diffusion-based Seq2Seq structure to estimate epistemic uncertainty and employs the robust additive Cauchy distribution to estimate aleatoric uncertainty. Our method not only ensures the accuracy of load forecasting but also demonstrates the ability to separate the two types of uncertainties and be applicable to different levels of loads. The relevant code can be found at \url{https://anonymous.4open.science/r/DiffLoad-4714/}.

Multi-armed bandits are extensively used to model sequential decision-making, making them ubiquitous in many real-life applications such as online recommender systems and wireless networking. We consider a multi-agent setting where each agent solves their own bandit instance endowed with a different set of arms. Their goal is to minimize their group regret while collaborating via some communication protocol over a given network. Previous literature on this problem only considered arm heterogeneity and networked agents separately. In this work, we introduce a setting that encompasses both features. For this novel setting, we first provide a rigorous regret analysis for a standard flooding protocol combined with the classic UCB policy. Then, to mitigate the issue of high communication costs incurred by flooding in complex networks, we propose a new protocol called Flooding with Absorption (FwA). We provide a theoretical analysis of the resulting regret bound and discuss the advantages of using FwA over flooding. Lastly, we experimentally verify on various scenarios, including dynamic networks, that FwA leads to significantly lower communication costs despite minimal regret performance loss compared to other network protocols.

The task of inferring high-level causal variables from low-level observations, commonly referred to as causal representation learning, is fundamentally underconstrained. As such, recent works to address this problem focus on various assumptions that lead to identifiability of the underlying latent causal variables. A large corpus of these preceding approaches consider multi-environment data collected under different interventions on the causal model. What is common to virtually all of these works is the restrictive assumption that in each environment, only a single variable is intervened on. In this work, we relax this assumption and provide the first identifiability result for causal representation learning that allows for multiple variables to be targeted by an intervention within one environment. Our approach hinges on a general assumption on the coverage and diversity of interventions across environments, which also includes the shared assumption of single-node interventions of previous works. The main idea behind our approach is to exploit the trace that interventions leave on the variance of the ground truth causal variables and regularizing for a specific notion of sparsity with respect to this trace. In addition to and inspired by our theoretical contributions, we present a practical algorithm to learn causal representations from multi-node interventional data and provide empirical evidence that validates our identifiability results.

Reproducing kernel Hilbert $C^*$-module (RKHM) is a generalization of reproducing kernel Hilbert space (RKHS) by means of $C^*$-algebra, and the Perron-Frobenius operator is a linear operator related to the composition of functions. Combining these two concepts, we present deep RKHM, a deep learning framework for kernel methods. We derive a new Rademacher generalization bound in this setting and provide a theoretical interpretation of benign overfitting by means of Perron-Frobenius operators. By virtue of $C^*$-algebra, the dependency of the bound on output dimension is milder than existing bounds. We show that $C^*$-algebra is a suitable tool for deep learning with kernels, enabling us to take advantage of the product structure of operators and to provide a clear connection with convolutional neural networks. Our theoretical analysis provides a new lens through which one can design and analyze deep kernel methods.

Textual data from financial filings, e.g., the Management's Discussion \& Analysis (MDA) section in Form 10-K, has been used to improve the prediction accuracy of bankruptcy models. In practice, however, we cannot obtain the MDA section for all public companies. The two main reasons for the lack of MDA are: (i) not all companies are obliged to submit the MDA and (ii) technical problems arise when crawling and scrapping the MDA section. This research introduces for the first time, to the best of our knowledge, the concept of multimodal learning in bankruptcy prediction models to solve the problem that for some companies we are unable to obtain the MDA text. We use the Conditional Multimodal Discriminative (CMMD) model to learn multimodal representations that embed information from accounting, market, and textual modalities. The CMMD model needs a sample with all data modalities for model training. At test time, the CMMD model only needs access to accounting and market modalities to generate multimodal representations, which are further used to make bankruptcy predictions. This fact makes the use of bankruptcy prediction models using textual data realistic and possible, since accounting and market data are available for all companies unlike textual data. The empirical results in this research show that the classification performance of our proposed methodology is superior compared to that of a large number of traditional classifier models. We also show that our proposed methodology solves the limitation of previous bankruptcy models using textual data, as they can only make predictions for a small proportion of companies.

Few-shot learning (FSL) is a central problem in meta-learning, where learners must efficiently learn from few labeled examples. Within FSL, feature pre-training has recently become an increasingly popular strategy to significantly improve generalization performance. However, the contribution of pre-training is often overlooked and understudied, with limited theoretical understanding of its impact on meta-learning performance. Further, pre-training requires a consistent set of global labels shared across training tasks, which may be unavailable in practice. In this work, we address the above issues by first showing the connection between pre-training and meta-learning. We discuss why pre-training yields more robust meta-representation and connect the theoretical analysis to existing works and empirical results. Secondly, we introduce Meta Label Learning (MeLa), a novel meta-learning algorithm that learns task relations by inferring global labels across tasks. This allows us to exploit pre-training for FSL even when global labels are unavailable or ill-defined. Lastly, we introduce an augmented pre-training procedure that further improves the learned meta-representation. Empirically, MeLa outperforms existing methods across a diverse range of benchmarks, in particular under a more challenging setting where the number of training tasks is limited and labels are task-specific. We also provide extensive ablation study to highlight its key properties.

The performance limit of Graph Convolutional Networks (GCNs) and the fact that we cannot stack more of them to increase the performance, which we usually do for other deep learning paradigms, are pervasively thought to be caused by the limitations of the GCN layers, including insufficient expressive power, etc. However, if so, for a fixed architecture, it would be unlikely to lower the training difficulty and to improve performance by changing only the training procedure, which we show in this paper not only possible but possible in several ways. This paper first identify the training difficulty of GCNs from the perspective of graph signal energy loss. More specifically, we find that the loss of energy in the backward pass during training nullifies the learning of the layers closer to the input. Then, we propose several methodologies to mitigate the training problem by slightly modifying the GCN operator, from the energy perspective. After empirical validation, we confirm that these changes of operator lead to significant decrease in the training difficulties and notable performance boost, without changing the composition of parameters. With these, we conclude that the root cause of the problem is more likely the training difficulty than the others.

We suggest a novel procedure for online change point detection. Our approach expands an idea of maximizing a discrepancy measure between points from pre-change and post-change distributions. This leads to a flexible procedure suitable for both parametric and nonparametric scenarios. We prove non-asymptotic bounds on the average running length of the procedure and its expected detection delay. The efficiency of the algorithm is illustrated with numerical experiments on synthetic and real-world data sets.

We propose a new sequential decision-making setting, combining key aspects of two established online learning problems with bandit feedback. The optimal action to play at any given moment is contingent on an underlying changing state which is not directly observable by the agent. Each state is associated with a context distribution, possibly corrupted, allowing the agent to identify the state. Furthermore, states evolve in a Markovian fashion, providing useful information to estimate the current state via state history. In the proposed problem setting, we tackle the challenge of deciding on which of the two sources of information the agent should base its arm selection. We present an algorithm that uses a referee to dynamically combine the policies of a contextual bandit and a multi-armed bandit. We capture the time-correlation of states through iteratively learning the action-reward transition model, allowing for efficient exploration of actions. Our setting is motivated by adaptive mobile health (mHealth) interventions. Users transition through different, time-correlated, but only partially observable internal states, determining their current needs. The side information associated with each internal state might not always be reliable, and standard approaches solely rely on the context risk of incurring high regret. Similarly, some users might exhibit weaker correlations between subsequent states, leading to approaches that solely rely on state transitions risking the same. We analyze our setting and algorithm in terms of regret lower bound and upper bounds and evaluate our method on simulated medication adherence intervention data and several real-world data sets, showing improved empirical performance compared to several popular algorithms.

Completely random measures (CRMs) and their normalizations (NCRMs) offer flexible models in Bayesian nonparametrics. But their infinite dimensionality presents challenges for inference. Two popular finite approximations are truncated finite approximations (TFAs) and independent finite approximations (IFAs). While the former have been well-studied, IFAs lack similarly general bounds on approximation error, and there has been no systematic comparison between the two options. In the present work, we propose a general recipe to construct practical finite-dimensional approximations for homogeneous CRMs and NCRMs, in the presence or absence of power laws. We call our construction the automated independent finite approximation (AIFA). Relative to TFAs, we show that AIFAs facilitate more straightforward derivations and use of parallel computing in approximate inference. We upper bound the approximation error of AIFAs for a wide class of common CRMs and NCRMs -- and thereby develop guidelines for choosing the approximation level. Our lower bounds in key cases suggest that our upper bounds are tight. We prove that, for worst-case choices of observation likelihoods, TFAs are more efficient than AIFAs. Conversely, we find that in real-data experiments with standard likelihoods, AIFAs and TFAs perform similarly. Moreover, we demonstrate that AIFAs can be used for hyperparameter estimation even when other potential IFA options struggle or do not apply.

Maximizing the log-likelihood is a crucial aspect of learning latent variable models, and variational inference (VI) stands as the commonly adopted method. However, VI can encounter challenges in achieving a high log-likelihood when dealing with complicated posterior distributions. In response to this limitation, we introduce a novel variational importance sampling (VIS) approach that directly estimates and maximizes the log-likelihood. VIS leverages the optimal proposal distribution, achieved by minimizing the forward $\chi^2$ divergence, to enhance log-likelihood estimation. We apply VIS to various popular latent variable models, including mixture models, variational auto-encoders, and partially observable generalized linear models. Results demonstrate that our approach consistently outperforms state-of-the-art baselines, both in terms of log-likelihood and model parameter estimation.

We investigate the long-run behavior of single-server queues with Hawkes arrivals and general service distributions and related optimization problems. In detail, utilizing novel coupling techniques, we establish finite moment bounds for the stationary distribution of the workload and busy period processes. In addition, we are able to show that, those queueing processes converge exponentially fast to their stationary distribution. Based on these theoretic results, we develop an efficient numerical algorithm to solve the optimal staffing problem for the Hawkes queues in a data-driven manner. Numerical results indicate a sharp difference in staffing for Hawkes queues, compared to the classic GI/GI/1 model, especially in the heavy-traffic regime.

We sample from a given target distribution by constructing a neural network which maps samples from a simple reference, e.g. the standard normal distribution, to samples from the target. To that end, we propose using a neural network architecture inspired by the Langevin Monte Carlo (LMC) algorithm. Based on LMC perturbation results, we show approximation rates of the proposed architecture for smooth, log-concave target distributions measured in the Wasserstein-$2$ distance. The analysis heavily relies on the notion of sub-Gaussianity of the intermediate measures of the perturbed LMC process. In particular, we derive bounds on the growth of the intermediate variance proxies under different assumptions on the perturbations. Moreover, we propose an architecture similar to deep residual neural networks and derive expressivity results for approximating the sample to target distribution map.

This work introduces the first small-loss and gradual-variation regret bounds for online portfolio selection, marking the first instances of data-dependent bounds for online convex optimization with non-Lipschitz, non-smooth losses. The algorithms we propose exhibit sublinear regret rates in the worst cases and achieve logarithmic regrets when the data is "easy," with per-iteration time almost linear in the number of investment alternatives. The regret bounds are derived using novel smoothness characterizations of the logarithmic loss, a local norm-based analysis of following the regularized leader (FTRL) with self-concordant regularizers, which are not necessarily barriers, and an implicit variant of optimistic FTRL with the log-barrier.

Graph convolutional neural network (GCNN) operates on graph domain and it has achieved a superior performance to accomplish a wide range of tasks. In this paper, we introduce a Barron space of functions on a compact domain of graph signals. We prove that the proposed Barron space is a reproducing kernel Banach space, it can be decomposed into the union of a family of reproducing kernel Hilbert spaces with neuron kernels, and it could be dense in the space of continuous functions on the domain. Approximation property is one of the main principles to design neural networks. In this paper, we show that outputs of GCNNs are contained in the Barron space and functions in the Barron space can be well approximated by outputs of some GCNNs in the integrated square and uniform measurements. We also estimate the Rademacher complexity of functions with bounded Barron norm and conclude that functions in the Barron space could be learnt from their random samples efficiently.  ( 2 min )

We propose EB-TC$\varepsilon$, a novel sampling rule for $\varepsilon$-best arm identification in stochastic bandits. It is the first instance of Top Two algorithm analyzed for approximate best arm identification. EB-TC$\varepsilon$ is an *anytime* sampling rule that can therefore be employed without modification for fixed confidence or fixed budget identification (without prior knowledge of the budget). We provide three types of theoretical guarantees for EB-TC$\varepsilon$. First, we prove bounds on its expected sample complexity in the fixed confidence setting, notably showing its asymptotic optimality in combination with an adaptive tuning of its exploration parameter. We complement these findings with upper bounds on its probability of error at any time and for any error parameter, which further yield upper bounds on its simple regret at any time. Finally, we show through numerical simulations that EB-TC$\varepsilon$ performs favorably compared to existing algorithms, in different settings.

Learning relies on coordinated synaptic changes in recurrently connected populations of neurons. Therefore, understanding the collective evolution of synaptic connectivity over learning is a key challenge in neuroscience and machine learning. In particular, recent work has shown that the weight matrices of task-trained RNNs are typically low rank, but how this low rank structure unfolds over learning is unknown. To address this, we investigate the rank of the 3-tensor formed by the weight matrices throughout learning. By fitting RNNs of varying rank to large-scale neural recordings during a motor learning task, we find that the inferred weights are low-tensor-rank and therefore evolve over a fixed low-dimensional subspace throughout the entire course of learning. We next validate the observation of low-tensor-rank learning on an RNN trained to solve the same task. Finally, we present a set of mathematical results bounding the matrix and tensor ranks of gradient descent learning dynamics which show that low-tensor-rank weights emerge naturally in RNNs trained to solve low-dimensional tasks. Taken together, our findings provide insight on the evolution of population connectivity over learning in both biological and artificial neural networks, and enable reverse engineering of learning-induced changes in recurrent dynamics from large-scale neural recordings.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.  ( 2 min )

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the enormous empirical success, the underlying mechanisms behind CoT and how it unlocks the potential of LLMs remain elusive. In this paper, we take a first step towards theoretically answering these questions. Specifically, we examine the expressivity of LLMs with CoT in solving fundamental mathematical and decision-making problems. By using circuit complexity theory, we first give impossibility results showing that bounded-depth Transformers are unable to directly produce correct answers for basic arithmetic/equation tasks unless the model size grows super-polynomially with respect to the input length. In contrast, we then prove by construction that autoregressive Transformers of constant size suffice to solve both tasks by generating CoT derivations using a commonly used math language format. Moreover, we show LLMs with CoT can handle a general class of decision-making problems known as Dynamic Programming, thus justifying its power in tackling complex real-world tasks. Finally, an extensive set of experiments show that, while Transformers always fail to directly predict the answers, they can consistently learn to generate correct solutions step-by-step given sufficient CoT demonstrations.

Graph Convolutional Networks (GCNs) have emerged as powerful tools for learning on network structured data. Although empirically successful, GCNs exhibit certain behaviour that has no rigorous explanation -- for instance, the performance of GCNs significantly degrades with increasing network depth, whereas it improves marginally with depth using skip connections. This paper focuses on semi-supervised learning on graphs, and explains the above observations through the lens of Neural Tangent Kernels (NTKs). We derive NTKs corresponding to infinitely wide GCNs (with and without skip connections). Subsequently, we use the derived NTKs to identify that, with suitable normalisation, network depth does not always drastically reduce the performance of GCNs -- a fact that we also validate through extensive simulation. Furthermore, we propose NTK as an efficient `surrogate model' for GCNs that does not suffer from performance fluctuations due to hyper-parameter tuning since it is a hyper-parameter free deterministic kernel. The efficacy of this idea is demonstrated through a comparison of different skip connections for GCNs using the surrogate NTKs.

We present a unified framework for deriving PAC-Bayesian generalization bounds. Unlike most previous literature on this topic, our bounds are anytime-valid (i.e., time-uniform), meaning that they hold at all stopping times, not only for a fixed sample size. Our approach combines four tools in the following order: (a) nonnegative supermartingales or reverse submartingales, (b) the method of mixtures, (c) the Donsker-Varadhan formula (or other convex duality principles), and (d) Ville's inequality. Our main result is a PAC-Bayes theorem which holds for a wide class of discrete stochastic processes. We show how this result implies time-uniform versions of well-known classical PAC-Bayes bounds, such as those of Seeger, McAllester, Maurer, and Catoni, in addition to many recent bounds. We also present several novel bounds. Our framework also enables us to relax traditional assumptions; in particular, we consider nonstationary loss functions and non-i.i.d. data. In sum, we unify the derivation of past bounds and ease the search for future bounds: one may simply check if our supermartingale or submartingale conditions are met and, if so, be guaranteed a (time-uniform) PAC-Bayes bound.

AI-generated synthetic data, in addition to protecting the privacy of original data sets, allows users and data consumers to tailor data to their needs. This paper explores the creation of synthetic data that embodies Fairness by Design, focusing on the statistical parity fairness definition. By equalizing the learned target probability distributions of the synthetic data generator across sensitive attributes, a downstream model trained on such synthetic data provides fair predictions across all thresholds, that is, strong fair predictions even when inferring from biased, original data. This fairness adjustment can be either directly integrated into the sampling process of a synthetic generator or added as a post-processing step. The flexibility allows data consumers to create fair synthetic data and fine-tune the trade-off between accuracy and fairness without any previous assumptions on the data or re-training the synthetic data generator.

A major driver of AI products today is the fact that new skills emerge in language models when their parameter set and training corpora are scaled up. This phenomenon is poorly understood, and a mechanistic explanation via mathematical analysis of gradient-based training seems difficult. The current paper takes a different approach, analysing emergence using the famous (and empirical) Scaling Laws of LLMs and a simple statistical framework. Contributions include: (a) A statistical framework that relates cross-entropy loss of LLMs to competence on the basic skills that underlie language tasks. (b) Mathematical analysis showing that the Scaling Laws imply a strong form of inductive bias that allows the pre-trained model to learn very efficiently. We informally call this {\em slingshot generalization} since naively viewed it appears to give competence levels at skills that violate usual generalization theory. (c) A key example of slingshot generalization, that competence at executing tasks involving $k$-tuples of skills emerges essentially at the same scaling and same rate as competence on the elementary skills themselves.

Sequential data collection has emerged as a widely adopted technique for enhancing the efficiency of data gathering processes. Despite its advantages, such data collection mechanism often introduces complexities to the statistical inference procedure. For instance, the ordinary least squares (OLS) estimator in an adaptive linear regression model can exhibit non-normal asymptotic behavior, posing challenges for accurate inference and interpretation. In this paper, we propose a general method for constructing debiased estimator which remedies this issue. It makes use of the idea of adaptive linear estimating equations, and we establish theoretical guarantees of asymptotic normality, supplemented by discussions on achieving near-optimal asymptotic variance. A salient feature of our estimator is that in the context of multi-armed bandits, our estimator retains the non-asymptotic performance of the least square estimator while obtaining asymptotic normality property. Consequently, this work helps connect two fruitful paradigms of adaptive inference: a) non-asymptotic inference using concentration inequalities and b) asymptotic inference via asymptotic normality.

A primary goal in strategic classification is to learn decision rules which are robust to strategic input manipulation. Earlier works assume that strategic responses are known; while some recent works address the important challenge of unknown responses, they exclusively study sequential settings which allow multiple model deployments over time. But there are many domains$\unicode{x2014}$particularly in public policy, a common motivating use-case$\unicode{x2014}$where multiple deployments are unrealistic, or where even a single bad round is undesirable. To address this gap, we initiate the study of strategic classification under unknown responses in the one-shot setting, which requires committing to a single classifier once. Focusing on the users' cost function as the source of uncertainty, we begin by proving that for a broad class of costs, even a small mis-estimation of the true cost can entail arbitrarily low accuracy in the worst case. In light of this, we frame the one-shot task as a minimax problem, with the goal of identifying the classifier with the smallest worst-case risk over an uncertainty set of possible costs. Our main contribution is efficient algorithms for both the full-batch and stochastic settings, which we prove converge (offline) to the minimax optimal solution at the dimension-independent rate of $\tilde{\mathcal{O}}(T^{-\frac{1}{2}})$. Our analysis reveals important structure stemming from the strategic nature of user responses, particularly the importance of dual norm regularization with respect to the cost function.  ( 2 min )

Tensor clustering, which seeks to extract underlying cluster structures from noisy tensor observations, has gained increasing attention. One extensively studied model for tensor clustering is the tensor block model, which postulates the existence of clustering structures along each mode and has found broad applications in areas like multi-tissue gene expression analysis and multilayer network analysis. However, currently available computationally feasible methods for tensor clustering either are limited to handling i.i.d. sub-Gaussian noise or suffer from suboptimal statistical performance, which restrains their utility in applications that have to deal with heteroskedastic data and/or low signal-to-noise-ratio (SNR). To overcome these challenges, we propose a two-stage method, named $\mathsf{High\text{-}order~HeteroClustering}$ ($\mathsf{HHC}$), which starts by performing tensor subspace estimation via a novel spectral algorithm called $\mathsf{Thresholded~Deflated\text{-}HeteroPCA}$, followed by approximate $k$-means to obtain cluster nodes. Encouragingly, our algorithm provably achieves exact clustering as long as the SNR exceeds the computational limit (ignoring logarithmic factors); here, the SNR refers to the ratio of the pairwise disparity between nodes to the noise level, and the computational limit indicates the lowest SNR that enables exact clustering with polynomial runtime. Comprehensive simulation and real-data experiments suggest that our algorithm outperforms existing algorithms across various settings, delivering more reliable clustering performance.  ( 2 min )

We demonstrate a validity problem of machine learning in the vital application area of disease diagnosis in medicine. It arises when target labels in training data are determined by an indirect measurement, and the fundamental measurements needed to determine this indirect measurement are included in the input data representation. Machine learning models trained on this data will learn nothing else but to exactly reconstruct the known target definition. Such models show perfect performance on similarly constructed test data but will fail catastrophically on real-world examples where the defining fundamental measurements are not or only incompletely available. We present a general procedure allowing identification of problematic datasets and black-box machine learning models trained on them, and exemplify our detection procedure on the task of early prediction of sepsis.  ( 2 min )

Weight-sharing is ubiquitous in deep learning. Motivated by this, we introduce ''weight-sharing regularization'' for neural networks, defined as $R(w) = \frac{1}{d - 1}\sum_{i > j}^d |w_i - w_j|$. We study the proximal mapping of $R$ and provide an intuitive interpretation of it in terms of a physical system of interacting particles. Using this interpretation, we design a novel parallel algorithm for $\operatorname{prox}_R$ which provides an exponential speedup over previous algorithms, with a depth of $O(\log^3 d)$. Our algorithm makes it feasible to train weight-sharing regularized deep neural networks with proximal gradient descent. Experiments reveal that weight-sharing regularization enables fully-connected networks to learn convolution-like filters.  ( 2 min )

Estimating a prediction function is a fundamental component of many data analyses. The Super Learner ensemble, a particular implementation of stacking, has desirable theoretical properties and has been used successfully in many applications. Dimension reduction can be accomplished by using variable screening algorithms, including the lasso, within the ensemble prior to fitting other prediction algorithms. However, the performance of a Super Learner using the lasso for dimension reduction has not been fully explored in cases where the lasso is known to perform poorly. We provide empirical results that suggest that a diverse set of candidate screening algorithms should be used to protect against poor performance of any one screen, similar to the guidance for choosing a library of prediction algorithms for the Super Learner.  ( 2 min )

Kernel density estimation (KDE) is integral to a range of generative and discriminative tasks in machine learning. Drawing upon tools from the multidimensional calculus of variations, we derive an optimal weight function that reduces bias in standard kernel density estimates for density ratios, leading to improved estimates of prediction posteriors and information-theoretic measures. In the process, we shed light on some fundamental aspects of density estimation, particularly from the perspective of algorithms that employ KDEs as their main building blocks.  ( 2 min )

Graph Neural Networks (GNNs) have emerged as a prominent graph learning model in various graph-based tasks over the years. Nevertheless, due to the vulnerabilities of GNNs, it has been empirically proved that malicious attackers could easily corrupt the fairness level of their predictions by adding perturbations to the input graph data. In this paper, we take crucial steps to study a novel problem of certifiable defense on the fairness level of GNNs. Specifically, we propose a principled framework named ELEGANT and present a detailed theoretical certification analysis for the fairness of GNNs. ELEGANT takes any GNNs as its backbone, and the fairness level of such a backbone is theoretically impossible to be corrupted under certain perturbation budgets for attackers. Notably, ELEGANT does not have any assumption over the GNN structure or parameters, and does not require re-training the GNNs to realize certification. Hence it can serve as a plug-and-play framework for any optimized GNNs ready to be deployed. We verify the satisfactory effectiveness of ELEGANT in practice through extensive experiments on real-world datasets across different backbones of GNNs, where ELEGANT is also demonstrated to be beneficial for GNN debiasing. Open-source code can be found at https://github.com/yushundong/ELEGANT.  ( 2 min )

Regularized linear regression is a promising approach for binary classification problems in which the training set has noisy labels since the regularization term can help to avoid interpolating the mislabeled data points. In this paper we provide a systematic study of the effects of the regularization strength on the performance of linear classifiers that are trained to solve binary classification problems by minimizing a regularized least-squares objective. We consider the over-parametrized regime and assume that the classes are generated from a Gaussian Mixture Model (GMM) where a fraction $c<\frac{1}{2}$ of the training data is mislabeled. Under these assumptions, we rigorously analyze the classification errors resulting from the application of ridge, $\ell_1$, and $\ell_\infty$ regression. In particular, we demonstrate that ridge regression invariably improves the classification error. We prove that $\ell_1$ regularization induces sparsity and observe that in many cases one can sparsify the solution by up to two orders of magnitude without any considerable loss of performance, even though the GMM has no underlying sparsity structure. For $\ell_\infty$ regularization we show that, for large enough regularization strength, the optimal weights concentrate around two values of opposite sign. We observe that in many cases the corresponding "compression" of each weight to a single bit leads to very little loss in performance. These latter observations can have significant practical ramifications.  ( 2 min )

The Laplace's method approximates a target density with a Gaussian distribution at its mode. It is computationally efficient and asymptotically exact for Bayesian inference due to the Bernstein-von Mises theorem, but for complex targets and finite-data posteriors it is often too crude an approximation. A recent generalization of the Laplace Approximation transforms the Gaussian approximation according to a chosen Riemannian geometry providing a richer approximation family, while still retaining computational efficiency. However, as shown here, its properties heavily depend on the chosen metric, indeed the metric adopted in previous work results in approximations that are overly narrow as well as being biased even at the limit of infinite data. We correct this shortcoming by developing the approximation family further, deriving two alternative variants that are exact at the limit of infinite data, extending the theoretical analysis of the method, and demonstrating practical improvements in a range of experiments.  ( 2 min )

We propose the Kuramoto Graph Neural Network (KuramotoGNN), a novel class of continuous-depth graph neural networks (GNNs) that employs the Kuramoto model to mitigate the over-smoothing phenomenon, in which node features in GNNs become indistinguishable as the number of layers increases. The Kuramoto model captures the synchronization behavior of non-linear coupled oscillators. Under the view of coupled oscillators, we first show the connection between Kuramoto model and basic GNN and then over-smoothing phenomenon in GNNs can be interpreted as phase synchronization in Kuramoto model. The KuramotoGNN replaces this phase synchronization with frequency synchronization to prevent the node features from converging into each other while allowing the system to reach a stable synchronized state. We experimentally verify the advantages of the KuramotoGNN over the baseline GNNs and existing methods in reducing over-smoothing on various graph deep learning benchmark tasks.  ( 2 min )

In spatial statistics and machine learning, the kernel matrix plays a pivotal role in prediction, classification, and maximum likelihood estimation. A thorough examination reveals that for large sample sizes, the kernel matrix becomes ill-conditioned, provided the sampling locations are fairly evenly distributed. This condition poses significant challenges to numerical algorithms used in prediction and estimation computations and necessitates an approximation to prediction and the Gaussian likelihood. A review of current methodologies for managing large spatial data indicates that some fail to address this ill-conditioning problem. Such ill-conditioning often results in low-rank approximations of the stochastic processes. This paper introduces various optimality criteria and provides solutions for each.  ( 2 min )

With the insight of variance-bias decomposition, we design a new hybrid bagging-boosting algorithm named SBPMT for classification problems. For the boosting part of SBPMT, we propose a new tree model called Probit Model Tree (PMT) as base classifiers in AdaBoost procedure. For the bagging part, instead of subsampling from the dataset at each step of boosting, we perform boosted PMTs on each subagged dataset and combine them into a powerful "committee", which can be viewed an incomplete U-statistic. Our theoretical analysis shows that (1) SBPMT is consistent under certain assumptions, (2) Increase the subagging times can reduce the generalization error of SBPMT to some extent and (3) Large number of ProbitBoost iterations in PMT can benefit the performance of SBPMT with fewer steps in the AdaBoost part. Those three properties are verified by a famous simulation designed by Mease and Wyner (2008). The last two points also provide a useful guidance in model tuning. A comparison of performance with other state-of-the-art classification methods illustrates that the proposed SBPMT algorithm has competitive prediction power in general and performs significantly better in some cases.  ( 2 min )

In biomedical applications it is often necessary to estimate a physiological response to a treatment consisting of multiple components, and learn the separate effects of the components in addition to the joint effect. Here, we extend existing probabilistic nonparametric approaches to explicitly address this problem. We also develop a new convolution-based model for composite treatment-response curves that is more biologically interpretable. We validate our models by estimating the impact of carbohydrate and fat in meals on blood glucose. By differentiating treatment components, incorporating their dosages, and sharing statistical information across patients via a hierarchical multi-output Gaussian process, our method improves prediction accuracy over existing approaches, and allows us to interpret the different effects of carbohydrates and fat on the overall glucose response.  ( 2 min )

Bayesian optimization is a framework for optimizing functions that are costly or time-consuming to evaluate. Recent work has considered Bayesian optimization of function networks (BOFN), where the objective function is computed via a network of functions, each taking as input the output of previous nodes in the network and additional parameters. Exploiting this network structure has been shown to yield significant performance improvements. Existing BOFN algorithms for general-purpose networks are required to evaluate the full network at each iteration. However, many real-world applications allow evaluating nodes individually. To take advantage of this opportunity, we propose a novel knowledge gradient acquisition function for BOFN that chooses which node to evaluate as well as the inputs for that node in a cost-aware fashion. This approach can dramatically reduce query costs by allowing the evaluation of part of the network at a lower cost relative to evaluating the entire network. We provide an efficient approach to optimizing our acquisition function and show it outperforms existing BOFN methods and other benchmarks across several synthetic and real-world problems. Our acquisition function is the first to enable cost-aware optimization of a broad class of function networks.  ( 2 min )

Randomized controlled trials (RCTs) are the accepted standard for treatment effect estimation but they can be infeasible due to ethical reasons and prohibitive costs. Single-arm trials, where all patients belong to the treatment group, can be a viable alternative but require access to an external control group. We propose an identifiable deep latent-variable model for this scenario that can also account for missing covariate observations by modeling their structured missingness patterns. Our method uses amortized variational inference to learn both group-specific and identifiable shared latent representations, which can subsequently be used for (i) patient matching if treatment outcomes are not available for the treatment group, or for (ii) direct treatment effect estimation assuming outcomes are available for both groups. We evaluate the model on a public benchmark as well as on a data set consisting of a published RCT study and real-world electronic health records. Compared to previous methods, our results show improved performance both for direct treatment effect estimation as well as for effect estimation via patient matching.  ( 2 min )

We show that the likelihood function for a multinomial vector observed under arbitrary interval censoring constraints on the frequencies or their partial sums is completely log-concave by proving that the constrained sample spaces comprise M-convex subsets of the discrete simplex.  ( 2 min )

We study a novel variant of the parameterized bandits problem in which the learner can observe additional auxiliary feedback that is correlated with the observed reward. The auxiliary feedback is readily available in many real-life applications, e.g., an online platform that wants to recommend the best-rated services to its users can observe the user's rating of service (rewards) and collect additional information like service delivery time (auxiliary feedback). In this paper, we first develop a method that exploits auxiliary feedback to build a reward estimator with tight confidence bounds, leading to a smaller regret. We then characterize the regret reduction in terms of the correlation coefficient between reward and its auxiliary feedback. Experimental results in different settings also verify the performance gain achieved by our proposed method.  ( 2 min )

$p$-Laplacian regularization, rooted in graph and image signal processing, introduces a parameter $p$ to control the regularization effect on these data. Smaller values of $p$ promote sparsity and interpretability, while larger values encourage smoother solutions. In this paper, we first show that the self-attention mechanism obtains the minimal Laplacian regularization ($p=2$) and encourages the smoothness in the architecture. However, the smoothness is not suitable for the heterophilic structure of self-attention in transformers where attention weights between tokens that are in close proximity and non-close ones are assigned indistinguishably. From that insight, we then propose a novel class of transformers, namely the $p$-Laplacian Transformer (p-LaT), which leverages $p$-Laplacian regularization framework to harness the heterophilic features within self-attention layers. In particular, low $p$ values will effectively assign higher attention weights to tokens that are in close proximity to the current token being processed. We empirically demonstrate the advantages of p-LaT over the baseline transformers on a wide range of benchmark datasets.  ( 2 min )

Injecting structure into neural networks enables learning functions that satisfy invariances with respect to subsets of inputs. For instance, when learning generative models using neural networks, it is advantageous to encode the conditional independence structure of observed variables, often in the form of Bayesian networks. We propose the Structured Neural Network (StrNN), which injects structure through masking pathways in a neural network. The masks are designed via a novel relationship we explore between neural network architectures and binary matrix factorization, to ensure that the desired independencies are respected. We devise and study practical algorithms for this otherwise NP-hard design problem based on novel objectives that control the model architecture. We demonstrate the utility of StrNN in three applications: (1) binary and Gaussian density estimation with StrNN, (2) real-valued density estimation with Structured Autoregressive Flows (StrAFs) and Structured Continuous Normalizing Flows (StrCNF), and (3) interventional and counterfactual analysis with StrAFs for causal inference. Our work opens up new avenues for learning neural networks that enable data-efficient generative modeling and the use of normalizing flows for causal effect estimation.  ( 2 min )

This paper studies Anderson acceleration (AA) for fixed-point methods ${x}^{(k+1)}=q({x}^{(k)})$. It provides the first proof that when the operator $q$ is linear and symmetric, AA improves the root-linear convergence factor over the fixed-point iterations. When $q$ is nonlinear, yet has a symmetric Jacobian at the solution, a slightly modified AA algorithm is proved to have an analogous root-linear convergence factor improvement over fixed-point iterations. Simulations verify our observations. Furthermore, experiments with different data models demonstrate AA is significantly superior to the standard fixed-point methods for Tyler's M-estimation.  ( 2 min )

I am trying to find reliable research work which show why displacement based metrics such as Wasserstein distance is a better suited metric than Jensen-Shannon distance in specific use cases and for certain set of distributions. Are there any well known works which delve into this ? submitted by /u/V1bicycle [link] [comments]  ( 9 min )

The key challenge is that NeRFs typically require multiple view images to reconstruct a scene in 3D, whereas videos provide only a single view over time. But that means we have to capture a lot of data to create a NeRF. What if there was a way to create 3D animated models of humans from monocular video footage using NeRFs? A new paper addresses this with a novel approach. First, they fit a parametric model (SMPL) to align with the subject in each frame of the video. This provides an initial estimate of the 3D shape. Second, they transform the coordinate system of the NeRF based on the surface of the SMPL model. This involves projecting input points onto the model's surface and calculating distances to the surface. Third, they incorporate the SMPL model's joint rotations to animate it in a variety of poses based on the video. This adds important pose-dependent shape cues. Finally, they use a neural network module to further refine the coordinate transform, correcting any inaccuracies in the SMPL fit to ensure spatial alignments are accurate for rendering. In experiments, they demonstrate their method generates high-quality renderings of subjects in novel views and poses not seen in the original video footage. The results capture nuanced clothing and hair deformations in a pose-dependent way. There are some example photos in the article that really show this off. Limitations exist for handling extremely complex motions and generating detailed face/hand geometry from low-resolution videos. But overall, the technique significantly advances the state-of-the-art in reconstructing animatable human models from monocular video. TLDR: They found a new NeRF technique to turn videos into controllable 3D models Full paper summary here. Paper is here. submitted by /u/Successful-Western27 [link] [comments]  ( 9 min )

As the title says i want to make an AI that will play New Super Mario Bros. for the DS. I want to be lead in the right direction for any resources that can help me achieve the completion of this project. I know a fair bit about Neural Networks but I am stumped on how to achieve this. I am using python and pytorch to be able to make this happen. Thank you for your responses submitted by /u/antonio_porven [link] [comments]  ( 9 min )

Recently, I've been working on some projects for fun, trying out some things I hadn't worked with before, such as profiling. But after profiling my code, I found out that my average GPU activity is around 50%. Apparently, the code frequently hangs for a few hundred milliseconds on the dataloader process. I've tried a few things in the dataloader: increasing/decreasing the number of workers, setting pin-memory to true or false, but neither seems to really matter. I have an NVME drive, so the disk is not the problem either. I've concluded that the bottleneck must be the CPU. Now, I've read that pre-processing the data might help, so that the dataloader doesn't have to decode the images, for example, but I don't really know how to go about this. I have around 2TB of NVME storage, and I've got a couple datasets on the disk (ImageNet and INaturalist are the two biggest ones), so I don't suppose I'll be able to store them on the disk uncompressed. Is there anything I can do to lighten the load on the CPU during training so that I can take advantage of the 50% of the GPU that I'm not using at the moment? submitted by /u/AdSignificant9235 [link] [comments]  ( 9 min )

​ DEMO AVAILABLE submitted by /u/Sookeyy [link] [comments]  ( 9 min )

Working on a little side project. How would you do it? How would you start collecting data for this? I’m assuming the hardest part is going to be getting the data. submitted by /u/Longjumping-Name7564 [link] [comments]  ( 9 min )

I have a model and some articles. I'm trying to figure out if the model was trained on these articles before. Is anyone familiar with existing methods on how to do this? I know Microsoft had one method here (Appendix B) where they did the following: "for each content datapoint in a dataset, we partition the content in half. We pass in the first half as context and ask the model to generate up to the length of the second half. We then measure how similar the generated content is to the held-out second half using Levenshtein distance ratio, which is defined as one minus the ratio of Levenshtein distance to the maximum possible distance." Wondering if anyone is familiar with other methods submitted by /u/DaBobcat [link] [comments]  ( 9 min )

Greetings, Excited to share with all those interested in GPTs released by OpenAI at Devday. We are a group of researchers who have carefully curated a comprehensive list on Github of the best GPT models, including descriptions, URLs, and other details. While our initial focus is on GPT models available through OpenAI, we will continuously maintain and update the list as new models are released. Resource list: https://github.com/promptslab/Awesome-Openai-GPTs We hope it will help you to get started & learn more about GPTs. Thank you :) https://preview.redd.it/1pjon2m6azyb1.png?width=1678&format=png&auto=webp&s=9999c13c20f429a8201bf0f1ce51489765c9838d ​ submitted by /u/Alternative-File-146 [link] [comments]  ( 9 min )

Sorry for the vague question but I’m looking for relevant research topics related to NN pruning. Any suggestions are appreciated, thanks! submitted by /u/Sidekiiick02 [link] [comments]  ( 9 min )

Hello as someone interested by ai and machine learning is it worth it to learn it when we have chatgpt and similar solutions that keeps getting bigger and bigger? Or is it better to go the classic software development route to buile the interfaces and apps for ml solutions? Thnks submitted by /u/Particular_Tea2307 [link] [comments]  ( 9 min )

I've got the following issue: Sometimes I want to adjust the architecture of huggingface model, e.g. for implementing the AnyMal Paper on Zephyr. It is not that difficult, just adding another input, concatenating with the text input. While I know how to do it in pure PyTorch, I struggle "hacking" the hugginface models. I end up wrapping them into nn.Module, which creates a mess. Transformers Trainer is not usable in that case, so I end up creating a training loop from scratch (which lacks all the comfort). Alternatively, I mess with the custom dataset and data collator. Is there any simple trick on how to modify the architecture without breaking the transformers models and loosing all the benefits and custom implementation details? submitted by /u/enricopallazo1 [link] [comments]  ( 9 min )

Hello everyone, I'm completing my Master's Degree in Artificial Intelligence in Italy and I have to choose the thesis subject. I'd like to deepen my knowledge about LLMs since they are the thing of the moment and we didn't study them during the course. My initial idea was to try to work on hallucinations by integrating external knowledge from Ontologies/Knowledge Bases, probably implementing some form of RAG. However in the last weeks a lot of papers were published on the subject and I don't know if it will still be any relevant when i graduate (in 6 months or so). Also I haven't validated the idea yet and don't know if it makes any sense. Do you have any suggestions on LLMs related topics that I can study for my thesis? submitted by /u/Lonely-Lingonberry-5 [link] [comments]  ( 9 min )

Paper: https://arxiv.org/abs/2311.02127 Abstract: In recent years, tasks of machine learning ranging from image processing & audio/video analysis to natural language understanding have been transformed by deep learning. The data content in all these scenarios are expressed via Euclidean space. However, a considerable amount of application data is structured in non-Euclidean space and is expressed as graphs, e.g. dealing with complicated interactions & object interdependencies. Modelling physical systems, learning molecular signatures, identifying protein interactions and predicting diseases involve utilising a model that can adapt from graph data. Graph neural networks (GNNs), specified as artificial-neural models, employ message transmission between graph nodes to represent graph dependencies and are primarily used in the non-Euclidean domain. Variants of GNN like Graph Recurrent Networks (GRN), Graph Auto Encoder (GAE), Graph Convolution Networks (GCN), Graph Adversarial Methods & Graph Reinforcement learning have exhibited breakthrough productivity on a wide range of tasks, especially in the field of bioinformatics, in recent years as a result of the rapid collection of biological network data. Apart from presenting all existing GNN models, mathematical analysis and comparison of the variants of all types of GNN have been highlighted in this survey. Graph neural networks are investigated for their potential real-world applications in various fields, focusing on Bioinformatics. Furthermore, resources for evaluating graph neural network models and accessing open-source code & benchmark data sets are included. Ultimately, we provide some (seven) proposals for future research in this rapidly evolving domain. GNNs have the potential to be an excellent tool for solving a wide range of biological challenges in bioinformatics research, as they are best represented as connected complex graphs. ​ submitted by /u/APaperADay [link] [comments]  ( 9 min )

Many of the best practices from ELT fully apply to the emerging AI tech stack, but there is an extra step missing - publishing transformed data to vector data stores. Airbyte suggests “ELTP”, or Extract, Load, Transform, and Publish, as an extensible architecture for delivering data to vector databases. How are folks syncing data between their sources and vector databases? ​ submitted by /u/Chemical-Treat6596 [link] [comments]  ( 9 min )

Hello, I have been using a single GPU for my school but now there is a need to do distributed training. How should I learn about it? Eventually I want to use deepspeed, huggingface, etc. submitted by /u/rodeowrong [link] [comments]  ( 9 min )

Hello r/MachineLearning and developer community! We’re the team behind Meltano, an open source project for data movement and integration. Today we’re announcing our new company name and product: Arch! We’re building Arch so you can build AI-powered features on your customer’s data without having to worry about building bespoke data infrastructure just to access the data. A clear target for us in building our initial version was to aim to build a tool that could power LLM-based applications, for multi-tenant use cases, using any data, which would be loved by software engineers. What we got so far is: A great demo + two blog posts detailing what we’re in the process of building + a waitlist if you’re interested in catching up. Of course, you can also schedule a demo. Key Highlights of Arch, from what we’ve already built: Fresh Data from Anywhere: Leverage data from any source — APIs, databases, files — seamlessly integrated into Arch. Auto Vector-embeddings: Build AI features fast, with automatic generation and synchronization of vector embeddings for any data. Effortless Multi-Tenancy: Secure and easy management of third-party authentication including OAuth, supporting numerous customers with customizable per-tenant SQL transformations. Flexible Data Access: Access any data table through SQL, GraphQL, or REST directly from your application. Developer-Centric Design: Arch is built with developers in mind, featuring a declarative approach and integrated best practices for version control. If this is of any interest to you, we’d love to chat. Also very happy to answer any questions here. Blog post: https://www.arch.dev/blog/announcing-arch-the-data-backend-for-ai-products/ GitHub: https://github.com/archdotdev submitted by /u/tayloramurphy [link] [comments]

I am stuck in this project for months. I have a panel time series, 2000 time series and each time series only 14 points length. And many covariates ( 20). I need to do prediction for a single target variable while taking into consideration all the covariates. If you have ideas, links, resources that can help me solving this problem, please let me know. Thanks a lot. submitted by /u/Beginner4ever [link] [comments]  ( 9 min )

There's a trading system that has a few parameters (like TP(take profit), SL(stop loss), Time limit and a couple of other ones). As you might know, there's a certain limit for each of them. Let's say we want the TP to be between 1% and 3% (always). And this happens for all the parameters as well. I specifically want to know how I can find the most suitable set of parameters. For example if tp is 2%, sl is 8%, time limit is 2000 minutes, .... the result would be less riskier(less profit). Since the number of parameters is not low (there're 10 of them) and the range for each of them is not discrete, it's practically impossible for us to run the system for each set of parameters. Therefore we tried using an optimization algorithm to be able to find the desirable result. We ended up using Genetic algorithm. It wasn't bad but turned out was not the best option we could use. Since it takes a lot of time to run (initial population should be 1000 and for each single run it takes 20 minutes, so...) Just consider the fact that the results of close values for parameters are not similar, for example if tp = 1.5%, sl = 8%, time limit = 2000 and I only change tp to 1.8%, the result totally changes! and you can't predict how it will affect the system. So there is a need for an optimization algorithm that can find the numerical values of them. Any ideas are highly appreciated! submitted by /u/Felicity_222 [link] [comments]  ( 9 min )

In this article, authors have discussed the evolve stage of 4 part series on how to build data products. Relevant for all the modern age data folks! What awaits you in this succinct piece: >>Introduction: ‘Evolve’ at a Glance, Relevance >>Fundamentals —— Evolutionary Architecture —— Fitness Functions —— Fitness Parameters —— Dynamic Changes —— Feedback Loops >>Evolving Data Products with Self-Serve Data Platforms —— Metrics Monitoring, SLO Optimisation, Catalysts for Higher Adoption —— Progressive Inclusion of Multiple Use Cases —— Resource Optimisation —— Maitenance Automation —— RCA & Log Analysis Enhancements —— Other Capabilities Critical to Evolve Stage >>Fitness in the Context of Data Mesh >>Read the complete article here: https://moderndata101.substack.com/p/evolving-data-products What are your thoughts on the entire approach??? submitted by /u/growth_man [link] [comments]  ( 9 min )

TItle says it all; I have a passion for linguistics and want to apply it outside the academe. As far as I can tell, the majority of machine learning is dealing with databases, but for anyone that's dealt with LLMs, how much of linguistics is actually applied? submitted by /u/Steak-Burrito [link] [comments]  ( 9 min )

Hello, Reddit community, I'm working on a project that focuses on query-oriented data cleaning with human expert involvement, and I'm in search of a suitable dataset to support this research. The dataset should ideally contain messy or incomplete data. If you know of any relevant datasets or sources where I can find such data, I would greatly appreciate your assistance. Additionally, if you have any suggestions or insights on where to look for datasets with data quality issues, please feel free to share them. Thank you in advance for your help and suggestions! submitted by /u/thelifeofZ080 [link] [comments]

Release link: https://github.com/tysam-code/hlb-CIFAR10/releases/tag/v0.7.0 Hi, I'm sure some of you have seen this project as it's progressed over the past year or so. Today we've hit a pretty big milestone by removing residual layers from the network without reducing the accuracy or convergence time under (what are pretty brutal) optimization conditions. The network trains more quickly as a result of fewer kernel launches, though I am sure the learnable information flow also has some significant impact as well. There is a technical discussion at https://twitter.com/hi_tysam/status/1721764010159477161 that goes over more details. If you'd like a TL;DR -- enforcing information flow in neural networks via external operators (like channel concatenation in DenseNets and channel addition i…  ( 10 min )

So I have been looking at GPT4-V pricing trying to determine what kind of pipeline they use, feel free to chime in, dispute, etc. I do not have many conclusions but hoping that the crowd is wiser. ​ https://preview.redd.it/t4udi6lnntyb1.png?width=552&format=png&auto=webp&s=6f02a8c62cb9eb5b104ef36f50d2e8d0ee7a431c Observations: you are billed on the token count which can be calculated from the image resolution. This suggests they do not do append the OCR result to the GPT4 input. There are 85 base tokens irrespective of the image size. Maybe they run the whole image through some vision encoder and somehow get 85 tokens? 85 is a strange number, not close base of 2, no convenient squares, what does it have? why 85? Maybe to mess with us? The image is tiled with 512x512 tiles, each tile converts to 170 tokens. 170 = 13*13+1? Maybe they use some kind of OCR and 170 is the average number of tokens they expect? But that would mean that gpt4 should not be able to differentiate small things in an image (it would just have 85 global tokens). Knowing OpenAI it seems unlikely they would have the 2 stage pipeline. GPT4-V can accurately read text from image. My guess would be a strong vision encoder for the 85 tokens and some light encoder for the 512x512 tiles, where most of the processing happens inside gpt4. Retrofitting GPT4 with vision suggests they have a vision encoder which maps to GPT4 tokens. ​ What do you think? submitted by /u/President_Xi_ [link] [comments]

https://openai.com/blog/new-models-and-developer-products-announced-at-devday Excited for the RAG implementations this will support. Also, turbo! submitted by /u/gar1t [link] [comments]

I have seen videos like this: https://www.youtube.com/watch?v=Dw3BZ6O_8LY and I'm curious as to how someone would do this. Some classmates and I want to recreate a board game and train a model on a digital recreation of it, but we're not sure where to start. Any help is useful! submitted by /u/Aboudi556 [link] [comments]

The key challenge is that NeRFs typically require multiple view images to reconstruct a scene in 3D, whereas videos provide only a single view over time. But that means we have to capture a lot of data to create a NeRF. What if there was a way to create 3D animated models of humans from monocular video footage using NeRFs? A new paper addresses this with a novel approach. First, they fit a parametric model (SMPL) to align with the subject in each frame of the video. This provides an initial estimate of the 3D shape. Second, they transform the coordinate system of the NeRF based on the surface of the SMPL model. This involves projecting input points onto the model's surface and calculating distances to the surface. Third, they incorporate the SMPL model's joint rotations to animate it in a variety of poses based on the video. This adds important pose-dependent shape cues. Finally, they use a neural network module to further refine the coordinate transform, correcting any inaccuracies in the SMPL fit to ensure spatial alignments are accurate for rendering. In experiments, they demonstrate their method generates high-quality renderings of subjects in novel views and poses not seen in the original video footage. The results capture nuanced clothing and hair deformations in a pose-dependent way. There are some example photos in the article that really show this off. Limitations exist for handling extremely complex motions and generating detailed face/hand geometry from low-resolution videos. But overall, the technique significantly advances the state-of-the-art in reconstructing animatable human models from monocular video. TLDR: They found a new NeRF technique to turn videos into controllable 3D models Full paper summary here. Paper is here. submitted by /u/Successful-Western27 [link] [comments]

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I'm in a pickle.. I want to make a podcast.. I don't want my voice to be public on it (but a friend of mine is willing to let me use them as a model).. And I don't have to cut audio into little clips, run them through the software that covers the audio, and restitch it back into one big file.. Is there any way to overcome all those dilemmas or am I just gonna have to deal with a few? Just figured I'd ask if anyone had any experience with ai voice podcasts just in case. submitted by /u/spazzyvomit916 [link] [comments]

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I Know this is a stupid question but I tried services like crushonai and more but they all require premium memberships. Is there anyway to use them completely free or any alternatives as I am in uni but live off my parents. Please help me! submitted by /u/RLIIDarK [link] [comments]

I’ve been testing different stuff, Craiyon does an excellent job but it’s not “private”. Dalle 3 is good but not great, Midjourney is meh (and or I just haven’t become too acquainted with it yet/don’t know any tricks). Do y’all have anything that you recommend?? Pattern examples— Wallpaper, wrapping papers, indigenous blankets, scrapbooking textures, Mossy Oak/Real Tree camo, interior design tiles, flooring, carpet samples submitted by /u/Maelasae [link] [comments]

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So I am searching for an app which helps me editing a product sheet. In contains 500+ products but i need to edit the title or well delete one word and optimize the product description. What would be good? submitted by /u/MannyRibera32 [link] [comments]

Artificial intelligence (AI) is causing clashes with copyright laws as it absorbs protected creations without authorization. Artists have complained about the theft of their work for training AI to imitate creators. The EU is preparing regulations to address this issue, while the UN held its first conference on the impact of AI. The question arises: is AI robbing artists of their work? AI poses a threat to intellectual property rights, with artists experiencing theft of their work for AI training purposes. Stephen Fry and Scarlett Johansson are among the artists who have taken legal action against unauthorized use of their voice and image by AI applications. The EU is working on regulations to make AI technology fairer, including in the creative field. AI's impact on copyright raises concerns about the loss of credit and compensation for creators. AI-generated works also raise questions about plagiarism and the economic benefit for companies. Future EU regulations aim to register generative AI systems and ensure transparency in data usage. Source : https://english.elpais.com/culture/2023-11-06/artificial-intelligence-clashes-with-copyright-is-it-stealing-thousands-of-protected-creations.html submitted by /u/NuseAI [link] [comments]

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Microsoft-backed OpenAI announces GPT-4 Turbo, its most powerful AI yet.[1] OpenAI offers to pay for ChatGPT customers’ copyright lawsuits.[2] Artificial intelligence start-up OpenAI laid out an ambitious vision for expanding its business selling directly to consumers, unveiling Monday an app-store-like marketplace where users will get paid for making chatbots on the company’s technology.[3] At OpenAI’s first developer conference, the company behind ChatGPT announced new tools that let anyone create a customized chatbot or AI agent—no coding skills required.[4] Sources: [1] https://www.cnbc.com/2023/11/06/openai-announces-more-powerful-gpt-4-turbo-and-cuts-prices.html [2] https://www.theguardian.com/technology/2023/nov/06/openai-chatgpt-customers-copyright-lawsuits [3] https://www.washingtonpost.com/technology/2023/11/06/openai-app-store-chat-gptstore/ [4] https://www.wired.com/story/openai-wants-everyone-to-build-their-own-version-of-chatgpt/ submitted by /u/Excellent-Target-847 [link] [comments]

​ looks like the 'hand of god' was cooking the books here. https://preview.redd.it/p64tjmcyouyb1.png?width=543&format=png&auto=webp&s=627b5b7f05311a5fd0687fee20ff990b6c681a6c submitted by /u/jazz788 [link] [comments]

​ You can checkout the demo or play the game here: https://sookeyy.itch.io/neuralnitro submitted by /u/Sookeyy [link] [comments]

I've come across a few model-based methods in continuous state spaces and the model is always a Gaussian. (In many cases, the environment itself is actually deterministic, but thats a story for another day.) Are there significant papers trying to make more powerful models work? Are there even problem settings where this is useful? I'd assume a decent starting point to model more complicated transitions is to use a noise-conditioned network, like in distributional RL. Maybe people use mixture of Gaussians, but I don't find that particularly satisfying. submitted by /u/_An_Other_Account_ [link] [comments]

Hi! Recently, I read some examples of gymnasium environments and found that the terminated function is not defined in all environments. According to my understanding, the terminated function is used to terminate the current episode when the goal has been achieved. In some environments without the terminated function, will the episode continue to roll even though the goal has been achieved? Besides, some environments seem to omit the definition of the terminated function. Thus, I'm confused about the necessity of this function/property. Hope can get a detailed explanation, and that would be greatly appreciated! submitted by /u/UpperSearch4172 [link] [comments]

Can i just dive into reading papers? Without berkeley's DRL course? submitted by /u/RealJuney [link] [comments]

Posted by Xin Wang, Software Engineer, and Nishanth Dikkala, Research Scientist, Google Research Contemporary deep learning models have been remarkably successful in many domains, ranging from natural language to computer vision. Transformer neural networks (transformers) are a popular deep learning architecture that today comprise the foundation for most tasks in natural language processing and also are starting to extend to applications in other domains, such as computer vision, robotics, and autonomous driving. Moreover, they form the backbone of all the current state-of-the-art language models. Increasing scale in Transformer networks has led to improved performance and the emergence of behavior not present in smaller networks. However, this increase in scale often comes with pr…  ( 93 min )

Large language models (LLMs) with their broad knowledge, can generate human-like text on almost any topic. However, their training on massive datasets also limits their usefulness for specialized tasks. Without continued learning, these models remain oblivious to new data and trends that emerge after their initial training. Furthermore, the cost to train new LLMs can […]  ( 14 min )

This research paper was presented at the 64th IEEE Symposium on Foundations of Computer Science (FOCS) 2023 (opens in new tab), a premier forum for the latest research in theoretical computer science. Submodular functions are versatile mathematical tools, finding diverse applications in real-world scenarios and guiding solutions across complex domains. From dissecting the intricate networks […] The post Toward developing faster algorithms for minimizing submodular functions appeared first on Microsoft Research.  ( 10 min )

Taiwanese artist Steven Tung creates captivating 2D and 3D digital art that explores sci-fi, minimalism and realism and pushes artistic boundaries.  ( 6 min )

Transformer has shown state-of-the-art performance on various applications and has recently emerged as a promising tool for surrogate modeling of partial differential equations (PDEs). Despite the introduction of linear-complexity attention, applying Transformer to problems with a large number of grid points can be numerically unstable and computationally expensive. In this work, we propose Factorized Transformer (FactFormer), which is based on an axial factorized kernel integral. Concretely, we introduce a learnable projection operator that decomposes the input function into multiple sub-functions with one-dimensional domain. These sub-functions are then evaluated and used to compute the instance-based kernel with an axial factorized scheme. We showcase that the proposed model is able to simulate 2D Kolmogorov flow on a $256\times 256$ grid and 3D smoke buoyancy on a $64\times64\times64$ grid with good accuracy and efficiency. The proposed factorized scheme can serve as a computationally efficient low-rank surrogate for the full attention scheme when dealing with multi-dimensional problems.  ( 2 min )

The expressivity of Graph Neural Networks (GNNs) can be entirely characterized by appropriate fragments of the first-order logic. Namely, any query of the two variable fragment of graded modal logic (GC2) interpreted over labeled graphs can be expressed using a GNN whose size depends only on the depth of the query. As pointed out by [Barcelo & Al., 2020, Grohe, 2021], this description holds for a family of activation functions, leaving the possibility for a hierarchy of logics expressible by GNNs depending on the chosen activation function. In this article, we show that such hierarchy indeed exists by proving that GC2 queries cannot be expressed by GNNs with polynomial activation functions. This implies a separation between polynomial and popular non-polynomial activations (such as ReLUs, sigmoid and hyperbolic tan and others) and answers an open question formulated by [Grohe, 2021].  ( 2 min )

Physics-informed neural networks (PINNs) have emerged as new data-driven PDE solvers for both forward and inverse problems. While promising, the expensive computational costs to obtain solutions often restrict their broader applicability. We demonstrate that the computations in automatic differentiation (AD) can be significantly reduced by leveraging forward-mode AD when training PINN. However, a naive application of forward-mode AD to conventional PINNs results in higher computation, losing its practical benefit. Therefore, we propose a network architecture, called separable PINN (SPINN), which can facilitate forward-mode AD for more efficient computation. SPINN operates on a per-axis basis instead of point-wise processing in conventional PINNs, decreasing the number of network forward passes. Besides, while the computation and memory costs of standard PINNs grow exponentially along with the grid resolution, that of our model is remarkably less susceptible, mitigating the curse of dimensionality. We demonstrate the effectiveness of our model in various PDE systems by significantly reducing the training run-time while achieving comparable accuracy. Project page: https://jwcho5576.github.io/spinn/  ( 2 min )

Prompt Engineering (PE) has emerged as a critical technique for guiding Large Language Models (LLMs) in solving intricate tasks. Its importance is highlighted by its potential to significantly enhance the efficiency and effectiveness of human-machine interaction. As tasks grow increasingly complex, recent advanced PE methods have extended beyond the limitations of single-round interactions to embrace multi-round interactions, which allows for a deeper and more nuanced engagement with LLMs. In this paper, we propose an optimal control framework tailored for multi-round interactions with LLMs. This framework provides a unified mathematical structure that not only systematizes the existing PE methods but also sets the stage for rigorous analytical improvements. Furthermore, we extend this framework to include PE via ensemble methods and multi-agent collaboration, thereby enlarging the scope of applicability. By adopting an optimal control perspective, we offer fresh insights into existing PE methods and highlight theoretical challenges that warrant future research. Besides, our work lays a foundation for the development of more effective and interpretable PE methods.  ( 2 min )

Autoregressive models, despite their commendable performance in a myriad of generative tasks, face challenges stemming from their inherently sequential structure. Inference on these models, by design, harnesses a temporal dependency, where the current token's probability distribution is conditioned on preceding tokens. This inherent characteristic severely impedes computational efficiency during inference as a typical inference request can require more than thousands of tokens, where generating each token requires a load of entire model weights, making the inference more memory-bound. The large overhead becomes profound in real deployment where requests arrive randomly, necessitating various generation lengths. Existing solutions, such as dynamic batching and concurrent instances, introduce significant response delays and bandwidth contention, falling short of achieving optimal latency and throughput. To address these shortcomings, we propose Flover -- a temporal fusion framework for efficiently inferring multiple requests in parallel. We deconstruct the general generation pipeline into pre-processing and token generation, and equip the framework with a dedicated work scheduler for fusing the generation process temporally across all requests. By orchestrating the token-level parallelism, Flover exhibits optimal hardware efficiency and significantly spares the system resources. By further employing a fast buffer reordering algorithm that allows memory eviction of finished tasks, it brings over 11x inference speedup on GPT and 16x on LLAMA compared to the cutting-edge solutions provided by NVIDIA FasterTransformer. Crucially, by leveraging the advanced tensor parallel technique, Flover proves efficacious across diverse computational landscapes, from single-GPU setups to distributed scenarios, thereby offering robust performance optimization that adapts to variable use cases.  ( 3 min )

We present a novel method for tuning the regularization hyper-parameter, $\lambda$, of a ridge regression that is faster to compute than leave-one-out cross-validation (LOOCV) while yielding estimates of the regression parameters of equal, or particularly in the setting of sparse covariates, superior quality to those obtained by minimising the LOOCV risk. The LOOCV risk can suffer from multiple and bad local minima for finite $n$ and thus requires the specification of a set of candidate $\lambda$, which can fail to provide good solutions. In contrast, we show that the proposed method is guaranteed to find a unique optimal solution for large enough $n$, under relatively mild conditions, without requiring the specification of any difficult to determine hyper-parameters. This is based on a Bayesian formulation of ridge regression that we prove to have a unimodal posterior for large enough $n$, allowing for both the optimal $\lambda$ and the regression coefficients to be jointly learned within an iterative expectation maximization (EM) procedure. Importantly, we show that by utilizing an appropriate preprocessing step, a single iteration of the main EM loop can be implemented in $O(\min(n, p))$ operations, for input data with $n$ rows and $p$ columns. In contrast, evaluating a single value of $\lambda$ using fast LOOCV costs $O(n \min(n, p))$ operations when using the same preprocessing. This advantage amounts to an asymptotic improvement of a factor of $l$ for $l$ candidate values for $\lambda$ (in the regime $q, p \in O(\sqrt{n})$ where $q$ is the number of regression targets).  ( 3 min )

Data over non-Euclidean manifolds, often discretized as surface meshes, naturally arise in computer graphics and biological and physical systems. In particular, solutions to partial differential equations (PDEs) over manifolds depend critically on the underlying geometry. While graph neural networks have been successfully applied to PDEs, they do not incorporate surface geometry and do not consider local gauge symmetries of the manifold. Alternatively, recent works on gauge equivariant convolutional and attentional architectures on meshes leverage the underlying geometry but underperform in modeling surface PDEs with complex nonlinear dynamics. To address these issues, we introduce a new gauge equivariant architecture using nonlinear message passing. Our novel architecture achieves higher performance than either convolutional or attentional networks on domains with highly complex and nonlinear dynamics. However, similar to the non-mesh case, design trade-offs favor convolutional, attentional, or message passing networks for different tasks; we investigate in which circumstances our message passing method provides the most benefit.  ( 2 min )

We derive the first finite-time logarithmic Bayes regret upper bounds for Bayesian bandits. In Gaussian bandits, we obtain $O(c_\Delta \log n)$ and $O(c_h \log^2 n)$ bounds for an upper confidence bound algorithm, where $c_h$ and $c_\Delta$ are constants depending on the prior distribution and the gaps of random bandit instances sampled from it, respectively. The latter bound asymptotically matches the lower bound of Lai (1987). Our proofs are a major technical departure from prior works, while being simple and general. To show the generality of our techniques, we apply them to linear bandits. Our results provide insights on the value of prior in the Bayesian setting, both in the objective and as a side information given to the learner. They significantly improve upon existing $\tilde{O}(\sqrt{n})$ bounds, which have become standard in the literature despite the existing lower bounds.  ( 2 min )

We exploit field guides to learn bird species recognition, in particular zero-shot recognition of unseen species. Illustrations contained in field guides deliberately focus on discriminative properties of each species, and can serve as side information to transfer knowledge from seen to unseen bird species. We study two approaches: (1) a contrastive encoding of illustrations, which can be fed into standard zero-shot learning schemes; and (2) a novel method that leverages the fact that illustrations are also images and as such structurally more similar to photographs than other kinds of side information. Our results show that illustrations from field guides, which are readily available for a wide range of species, are indeed a competitive source of side information for zero-shot learning. On a subset of the iNaturalist2021 dataset with 749 seen and 739 unseen species, we obtain a classification accuracy of unseen bird species of $12\%$ @top-1 and $38\%$ @top-10, which shows the potential of field guides for challenging real-world scenarios with many species. Our code is available at https://github.com/ac-rodriguez/zsl_billow  ( 2 min )

Most applications of Artificial Intelligence (AI) are designed for a confined and specific task. However, there are many scenarios that call for a more general AI, capable of solving a wide array of tasks without being specifically designed for them. The term General-Purpose Artificial Intelligence Systems (GPAIS) has been defined to refer to these AI systems. To date, the possibility of an Artificial General Intelligence, powerful enough to perform any intellectual task as if it were human, or even improve it, has remained an aspiration, fiction, and considered a risk for our society. Whilst we might still be far from achieving that, GPAIS is a reality and sitting at the forefront of AI research. This work discusses existing definitions for GPAIS and proposes a new definition that allows for a gradual differentiation among types of GPAIS according to their properties and limitations. We distinguish between closed-world and open-world GPAIS, characterising their degree of autonomy and ability based on several factors such as adaptation to new tasks, competence in domains not intentionally trained for, ability to learn from few data, or proactive acknowledgment of their own limitations. We propose a taxonomy of approaches to realise GPAIS, describing research trends such as the use of AI techniques to improve another AI (AI-powered AI) or (single) foundation models. As a prime example, we delve into GenAI, aligning them with the concepts presented in the taxonomy. We explore multi-modality, which involves fusing various types of data sources to expand the capabilities of GPAIS. Through the proposed definition and taxonomy, our aim is to facilitate research collaboration across different areas that are tackling general purpose tasks, as they share many common aspects. Finally, we discuss the state of GPAIS, prospects, societal implications, and the need for regulation and governance.  ( 3 min )

In theory, the choice of ReLU(0) in [0, 1] for a neural network has a negligible influence both on backpropagation and training. Yet, in the real world, 32 bits default precision combined with the size of deep learning problems makes it a hyperparameter of training methods. We investigate the importance of the value of ReLU'(0) for several precision levels (16, 32, 64 bits), on various networks (fully connected, VGG, ResNet) and datasets (MNIST, CIFAR10, SVHN, ImageNet). We observe considerable variations of backpropagation outputs which occur around half of the time in 32 bits precision. The effect disappears with double precision, while it is systematic at 16 bits. For vanilla SGD training, the choice ReLU'(0) = 0 seems to be the most efficient. For our experiments on ImageNet the gain in test accuracy over ReLU'(0) = 1 was more than 10 points (two runs). We also evidence that reconditioning approaches as batch-norm or ADAM tend to buffer the influence of ReLU'(0)'s value. Overall, the message we convey is that algorithmic differentiation of nonsmooth problems potentially hides parameters that could be tuned advantageously.  ( 2 min )

Highly-interconnected societies difficult to model the spread of infectious diseases such as COVID-19. Single-region SIR models fail to account for incoming forces of infection and expanding them to a large number of interacting regions involves many assumptions that do not hold in the real world. We propose using Universal Differential Equations (UDEs) to capture the influence of neighboring regions and improve the model's predictions in a combined SIR+UDE model. UDEs are differential equations totally or partially defined by a deep neural network (DNN). We include an additive term to the SIR equations composed by a DNN that learns the incoming force of infection from the other regions. The learning is performed using automatic differentiation and gradient descent to approach the change in the target system caused by the state of the neighboring regions. We compared the proposed model using a simulated COVID-19 outbreak against a single-region SIR and a fully data-driven model composed only of a DNN. The proposed UDE+SIR model generates predictions that capture the outbreak dynamic more accurately, but a decay in performance is observed at the last stages of the outbreak. The single-area SIR and the fully data-driven approach do not capture the proper dynamics accurately. Once the predictions were obtained, we employed the SINDy algorithm to substitute the DNN with a regression, removing the black box element of the model with no considerable increase in the error levels.  ( 3 min )

Many practically relevant robot grasping problems feature a target object for which all grasps are occluded, e.g., by the environment. Single-shot grasp planning invariably fails in such scenarios. Instead, it is necessary to first manipulate the object into a configuration that affords a grasp. We solve this problem by learning a sequence of actions that utilize the environment to change the object's pose. Concretely, we employ hierarchical reinforcement learning to combine a sequence of learned parameterized manipulation primitives. By learning the low-level manipulation policies, our approach can control the object's state through exploiting interactions between the object, the gripper, and the environment. Designing such a complex behavior analytically would be infeasible under uncontrolled conditions, as an analytic approach requires accurate physical modeling of the interaction and contact dynamics. In contrast, we learn a hierarchical policy model that operates directly on depth perception data, without the need for object detection, pose estimation, or manual design of controllers. We evaluate our approach on picking box-shaped objects of various weight, shape, and friction properties from a constrained table-top workspace. Our method transfers to a real robot and is able to successfully complete the object picking task in 98\% of experimental trials.  ( 2 min )

Minimizers and convolutional neural networks (CNNs) are two quite distinct popular techniques that have both been employed to analyze categorical biological sequences. At face value, the methods seem entirely dissimilar. Minimizers use min-wise hashing on a rolling window to extract a single important k-mer feature per window. CNNs start with a wide array of randomly initialized convolutional filters, paired with a pooling operation, and then multiple additional neural layers to learn both the filters themselves and how they can be used to classify the sequence. Here, our main result is a careful mathematical analysis of hash function properties showing that for sequences over a categorical alphabet, random Gaussian initialization of convolutional filters with max-pooling is equivalent to choosing a minimizer ordering such that selected k-mers are (in Hamming distance) far from the k-mers within the sequence but close to other minimizers. In empirical experiments, we find that this property manifests as decreased density in repetitive regions, both in simulation and on real human telomeres. We additionally train from scratch a CNN embedding of synthetic short-reads from the SARS-CoV-2 genome into 3D Euclidean space that locally recapitulates the linear sequence distance of the read origins, a modest step towards building a deep learning assembler, though it is at present too slow to be practical. In total, this manuscript provides a partial explanation for the effectiveness of CNNs in categorical sequence analysis.  ( 3 min )

Although large language models (LLMs) are widely deployed, the data used to train them is rarely disclosed. Given the incredible scale of this data, up to trillions of tokens, it is all but certain that it includes potentially problematic text such as copyrighted materials, personally identifiable information, and test data for widely reported reference benchmarks. However, we currently have no way to know which data of these types is included or in what proportions. In this paper, we study the pretraining data detection problem: given a piece of text and black-box access to an LLM without knowing the pretraining data, can we determine if the model was trained on the provided text? To facilitate this study, we introduce a dynamic benchmark WIKIMIA that uses data created before and after model training to support gold truth detection. We also introduce a new detection method Min-K% Prob based on a simple hypothesis: an unseen example is likely to contain a few outlier words with low probabilities under the LLM, while a seen example is less likely to have words with such low probabilities. Min-K% Prob can be applied without any knowledge about the pretraining corpus or any additional training, departing from previous detection methods that require training a reference model on data that is similar to the pretraining data. Moreover, our experiments demonstrate that Min-K% Prob achieves a 7.4% improvement on WIKIMIA over these previous methods. We apply Min-K% Prob to three real-world scenarios, copyrighted book detection, contaminated downstream example detection and privacy auditing of machine unlearning, and find it a consistently effective solution.  ( 3 min )

The latest generation of LLMs can be prompted to achieve impressive zero-shot or few-shot performance in many NLP tasks. However, since performance is highly sensitive to the choice of prompts, considerable effort has been devoted to crowd-sourcing prompts or designing methods for prompt optimisation. Yet, we still lack a systematic understanding of how linguistic properties of prompts correlate with task performance. In this work, we investigate how LLMs of different sizes, pre-trained and instruction-tuned, perform on prompts that are semantically equivalent, but vary in linguistic structure. We investigate both grammatical properties such as mood, tense, aspect and modality, as well as lexico-semantic variation through the use of synonyms. Our findings contradict the common assumption that LLMs achieve optimal performance on lower perplexity prompts that reflect language use in pretraining or instruction-tuning data. Prompts transfer poorly between datasets or models, and performance cannot generally be explained by perplexity, word frequency, ambiguity or prompt length. Based on our results, we put forward a proposal for a more robust and comprehensive evaluation standard for prompting research.  ( 2 min )

With the rapid development of artificial intelligence, large language models (LLMs) have shown promising capabilities in mimicking human-level language comprehension and reasoning. This has sparked significant interest in applying LLMs to enhance various aspects of healthcare, ranging from medical education to clinical decision support. However, medicine involves multifaceted data modalities and nuanced reasoning skills, presenting challenges for integrating LLMs. This paper provides a comprehensive review on the applications and implications of LLMs in medicine. It begins by examining the fundamental applications of general-purpose and specialized LLMs, demonstrating their utilities in knowledge retrieval, research support, clinical workflow automation, and diagnostic assistance. Recognizing the inherent multimodality of medicine, the review then focuses on multimodal LLMs, investigating their ability to process diverse data types like medical imaging and EHRs to augment diagnostic accuracy. To address LLMs' limitations regarding personalization and complex clinical reasoning, the paper explores the emerging development of LLM-powered autonomous agents for healthcare. Furthermore, it summarizes the evaluation methodologies for assessing LLMs' reliability and safety in medical contexts. Overall, this review offers an extensive analysis on the transformative potential of LLMs in modern medicine. It also highlights the pivotal need for continuous optimizations and ethical oversight before these models can be effectively integrated into clinical practice. Visit https://github.com/mingze-yuan/Awesome-LLM-Healthcare for an accompanying GitHub repository containing latest papers.  ( 3 min )

Quantifying the difference between two probability density functions, $p$ and $q$, using available data, is a fundamental problem in Statistics and Machine Learning. A usual approach for addressing this problem is the likelihood-ratio estimation (LRE) between $p$ and $q$, which -- to our best knowledge -- has been investigated mainly for the offline case. This paper contributes by introducing a new framework for online non-parametric LRE (OLRE) for the setting where pairs of iid observations $(x_t \sim p, x'_t \sim q)$ are observed over time. The non-parametric nature of our approach has the advantage of being agnostic to the forms of $p$ and $q$. Moreover, we capitalize on the recent advances in Kernel Methods and functional minimization to develop an estimator that can be efficiently updated online. We provide theoretical guarantees for the performance of the OLRE method along with empirical validation in synthetic experiments.  ( 2 min )

Bayesian optimization is a powerful method for optimizing black-box functions with limited function evaluations. Recent works have shown that optimization in a latent space through deep generative models such as variational autoencoders leads to effective and efficient Bayesian optimization for structured or discrete data. However, as the optimization does not take place in the input space, it leads to an inherent gap that results in potentially suboptimal solutions. To alleviate the discrepancy, we propose Correlated latent space Bayesian Optimization (CoBO), which focuses on learning correlated latent spaces characterized by a strong correlation between the distances in the latent space and the distances within the objective function. Specifically, our method introduces Lipschitz regularization, loss weighting, and trust region recoordination to minimize the inherent gap around the promising areas. We demonstrate the effectiveness of our approach on several optimization tasks in discrete data, such as molecule design and arithmetic expression fitting, and achieve high performance within a small budget.

Automated reverse engineering of HTML/CSS code from UI screenshots is an important yet challenging problem with broad applications in website development and design. In this paper, we propose a novel vision-code transformer (ViCT) composed of a vision encoder processing the screenshots and a language decoder to generate the code. They are initialized by pre-trained models such as ViT/DiT and GPT-2/LLaMA but aligning the two modalities requires end-to-end finetuning, which aims to minimize the visual discrepancy between the code-rendered webpage and the original screenshot. However, the rendering is non-differentiable and causes costly overhead. We address this problem by actor-critic fine-tuning where a visual critic without rendering (ViCR) is developed to predict visual discrepancy given the original and generated code. To train and evaluate our models, we created two synthetic datasets of varying complexity, with over 75,000 unique (code, screenshot) pairs. We evaluate the UI-to-Code performance using a combination of automated metrics such as MSE, BLEU, IoU, and a novel htmlBLEU score. ViCT outperforms a strong baseline model DiT-GPT2, improving IoU from 0.64 to 0.79 and lowering MSE from 12.25 to 9.02. With much lower computational cost, it can achieve comparable performance as when using a larger decoder such as LLaMA.  ( 2 min )

Policy-based reinforcement learning algorithms are widely used in various fields. Among them, mainstream policy optimization algorithms such as TRPO and PPO introduce importance sampling into policy iteration, which allows the reuse of historical data. However, this can also lead to a high variance of the surrogate objective and indirectly affects the stability and convergence of the algorithm. In this paper, we first derived an upper bound of the surrogate objective variance, which can grow quadratically with the increase of the surrogate objective. Next, we proposed the dropout technique to avoid the excessive increase of the surrogate objective variance caused by importance sampling. Then, we introduced a general reinforcement learning framework applicable to mainstream policy optimization methods, and applied the dropout technique to the PPO algorithm to obtain the D-PPO variant. Finally, we conduct comparative experiments between D-PPO and PPO algorithms in the Atari 2600 environment, and the results show that D-PPO achieved significant performance improvements compared to PPO, and effectively limited the excessive increase of the surrogate objective variance during training.

Large multimodal models demonstrate remarkable generalist ability to perform diverse multimodal tasks in a zero-shot manner. Large-scale web-based image-text pairs contribute fundamentally to this success, but suffer from excessive noise. Recent studies use alternative captions synthesized by captioning models and have achieved notable benchmark performance. However, our experiments reveal significant Scalability Deficiency and World Knowledge Loss issues in models trained with synthetic captions, which have been largely obscured by their initial benchmark success. Upon closer examination, we identify the root cause as the overly-simplified language structure and lack of knowledge details in existing synthetic captions. To provide higher-quality and more scalable multimodal pretraining data, we propose CapsFusion, an advanced framework that leverages large language models to consolidate and refine information from both web-based image-text pairs and synthetic captions. Extensive experiments show that CapsFusion captions exhibit remarkable all-round superiority over existing captions in terms of model performance (e.g., 18.8 and 18.3 improvements in CIDEr score on COCO and NoCaps), sample efficiency (requiring 11-16 times less computation than baselines), world knowledge depth, and scalability. These effectiveness, efficiency and scalability advantages position CapsFusion as a promising candidate for future scaling of LMM training.

High-fidelity computational simulations and physical experiments of hypersonic flows are resource intensive. Training scientific machine learning (SciML) models on limited high-fidelity data offers one approach to rapidly predict behaviors for situations that have not been seen before. However, high-fidelity data is itself in limited quantity to validate all outputs of the SciML model in unexplored input space. As such, an uncertainty-aware SciML model is desired. The SciML model's output uncertainties could then be used to assess the reliability and confidence of the model's predictions. In this study, we extend a DeepONet using three different uncertainty quantification mechanisms: mean-variance estimation, evidential uncertainty, and ensembling. The uncertainty aware DeepONet models are trained and evaluated on the hypersonic flow around a blunt cone object with data generated via computational fluid dynamics over a wide range of Mach numbers and altitudes. We find that ensembling outperforms the other two uncertainty models in terms of minimizing error and calibrating uncertainty in both interpolative and extrapolative regimes.

Varying dynamics parameters in simulation is a popular Domain Randomization (DR) approach for overcoming the reality gap in Reinforcement Learning (RL). Nevertheless, DR heavily hinges on the choice of the sampling distribution of the dynamics parameters, since high variability is crucial to regularize the agent's behavior but notoriously leads to overly conservative policies when randomizing excessively. In this paper, we propose a novel approach to address sim-to-real transfer, which automatically shapes dynamics distributions during training in simulation without requiring real-world data. We introduce DOmain RAndomization via Entropy MaximizatiON (DORAEMON), a constrained optimization problem that directly maximizes the entropy of the training distribution while retaining generalization capabilities. In achieving this, DORAEMON gradually increases the diversity of sampled dynamics parameters as long as the probability of success of the current policy is sufficiently high. We empirically validate the consistent benefits of DORAEMON in obtaining highly adaptive and generalizable policies, i.e. solving the task at hand across the widest range of dynamics parameters, as opposed to representative baselines from the DR literature. Notably, we also demonstrate the Sim2Real applicability of DORAEMON through its successful zero-shot transfer in a robotic manipulation setup under unknown real-world parameters.  ( 2 min )

In this short consensus paper, we outline risks from upcoming, advanced AI systems. We examine large-scale social harms and malicious uses, as well as an irreversible loss of human control over autonomous AI systems. In light of rapid and continuing AI progress, we propose priorities for AI R&D and governance.

Reinforcement learning (RL) algorithms face two distinct challenges: learning effective representations of past and present observations, and determining how actions influence future returns. Both challenges involve modeling long-term dependencies. The Transformer architecture has been very successful to solve problems that involve long-term dependencies, including in the RL domain. However, the underlying reason for the strong performance of Transformer-based RL methods remains unclear: is it because they learn effective memory, or because they perform effective credit assignment? After introducing formal definitions of memory length and credit assignment length, we design simple configurable tasks to measure these distinct quantities. Our empirical results reveal that Transformers can enhance the memory capability of RL algorithms, scaling up to tasks that require memorizing observations $1500$ steps ago. However, Transformers do not improve long-term credit assignment. In summary, our results provide an explanation for the success of Transformers in RL, while also highlighting an important area for future research and benchmark design. Our code is open-sourced at https://github.com/twni2016/Memory-RL  ( 2 min )

Modern reinforcement learning (RL) can be categorized into online and offline variants. As a pivotal aspect of both online and offline RL, current research on the Bellman equation revolves primarily around optimization techniques and performance enhancement rather than exploring the inherent structural properties of the Bellman error, such as its distribution characteristics. This study investigates the distribution of the Bellman approximation error in both online and offline settings through iterative exploration of the Bellman equation. We observed that both in online RL and offline RL, the Bellman error conforms to a Logistic distribution. Building upon this discovery, this study employed the Logistics maximum likelihood function (LLoss) as an alternative to the commonly used MSE Loss, assuming that Bellman errors adhere to a normal distribution. We validated our hypotheses through extensive numerical experiments across diverse online and offline environments. In particular, we applied corrections to the loss function across various baseline algorithms and consistently observed that the loss function with Logistic corrections outperformed the MSE counterpart significantly. Additionally, we conducted Kolmogorov-Smirnov tests to confirm the reliability of the Logistic distribution. This study's theoretical and empirical insights provide valuable groundwork for future investigations and enhancements centered on the distribution of Bellman errors.  ( 2 min )

Exploration bonuses in reinforcement learning guide long-horizon exploration by defining custom intrinsic objectives. Count-based methods use the frequency of state visits to derive an exploration bonus. In this paper, we identify that any intrinsic reward function derived from count-based methods is non-stationary and hence induces a difficult objective to optimize for the agent. The key contribution of our work lies in transforming the original non-stationary rewards into stationary rewards through an augmented state representation. For this purpose, we introduce the Stationary Objectives For Exploration (SOFE) framework. SOFE requires identifying sufficient statistics for different exploration bonuses and finding an efficient encoding of these statistics to use as input to a deep network. SOFE is based on proposing state augmentations that expand the state space but hold the promise of simplifying the optimization of the agent's objective. Our experiments show that SOFE improves the agents' performance in challenging exploration problems, including sparse-reward tasks, pixel-based observations, 3D navigation, and procedurally generated environments.  ( 2 min )

The social graphs synthesized by the generative models are increasingly in demand due to data scarcity and concerns over user privacy. One of the key performance criteria for generating social networks is the fidelity to specified conditionals, such as users with certain membership and financial status. While recent diffusion models have shown remarkable performance in generating images, their effectiveness in synthesizing graphs has not yet been explored in the context of conditional social graphs. In this paper, we propose the first kind of conditional diffusion model for social networks, CDGraph, which trains and synthesizes graphs based on two specified conditions. We propose the co-evolution dependency in the denoising process of CDGraph to capture the mutual dependencies between the dual conditions and further incorporate social homophily and social contagion to preserve the connectivity between nodes while satisfying the specified conditions. Moreover, we introduce a novel classifier loss, which guides the training of the diffusion process through the mutual dependency of dual conditions. We evaluate CDGraph against four existing graph generative methods, i.e., SPECTRE, GSM, EDGE, and DiGress, on four datasets. Our results show that the generated graphs from CDGraph achieve much higher dual-conditional validity and lower discrepancy in various social network metrics than the baselines, thus demonstrating its proficiency in generating dual-conditional social graphs.  ( 2 min )

Language models of code (LMs) work well when the surrounding code provides sufficient context. This is not true when it becomes necessary to use types, functionality or APIs defined elsewhere in the repository or a linked library, especially those not seen during training. LMs suffer from limited awareness of such global context and end up hallucinating. Integrated development environments (IDEs) assist developers in understanding repository context using static analysis. We extend this assistance, enjoyed by developers, to LMs. We propose monitor-guided decoding (MGD) where a monitor uses static analysis to guide the decoding. We construct a repository-level dataset PragmaticCode for method-completion in Java and evaluate MGD on it. On models of varying parameter scale, by monitoring for type-consistent object dereferences, MGD consistently improves compilation rates and agreement with ground truth. Further, LMs with fewer parameters, when augmented with MGD, can outperform larger LMs. With MGD, SantaCoder-1.1B achieves better compilation rate and next-identifier match than the much larger text-davinci-003 model. We also conduct a generalizability study to evaluate the ability of MGD to generalize to multiple programming languages (Java, C# and Rust), coding scenarios (e.g., correct number of arguments to method calls), and to enforce richer semantic constraints (e.g., stateful API protocols). Our data and implementation are available at https://github.com/microsoft/monitors4codegen .  ( 3 min )

An emerging new paradigm for solving inverse problems is via the use of deep learning to learn a regularizer from data. This leads to high-quality results, but often at the cost of provable guarantees. In this work, we show how well-posedness and convergent regularization arises within the convex-nonconvex (CNC) framework for inverse problems. We introduce a novel input weakly convex neural network (IWCNN) construction to adapt the method of learned adversarial regularization to the CNC framework. Empirically we show that our method overcomes numerical issues of previous adversarial methods.  ( 2 min )

Underwater gliders have been widely used in oceanography for a range of applications. However, unpredictable events like shark strikes or remora attachments can lead to abnormal glider behavior or even loss of the instrument. This paper employs an anomaly detection algorithm to assess operational conditions of underwater gliders in the real-world ocean environment. Prompt alerts are provided to glider pilots upon detecting any anomaly, so that they can take control of the glider to prevent further harm. The detection algorithm is applied to multiple datasets collected in real glider deployments led by the University of Georgia's Skidaway Institute of Oceanography (SkIO) and the University of South Florida (USF). In order to demonstrate the algorithm generality, the experimental evaluation is applied to four glider deployment datasets, each highlighting various anomalies happening in different scenes. Specifically, we utilize high resolution datasets only available post-recovery to perform detailed analysis of the anomaly and compare it with pilot logs. Additionally, we simulate the online detection based on the real-time subsets of data transmitted from the glider at the surfacing events. While the real-time data may not contain as much rich information as the post-recovery one, the online detection is of great importance as it allows glider pilots to monitor potential abnormal conditions in real time.  ( 3 min )

We establish conditions under which latent causal graphs are nonparametrically identifiable and can be reconstructed from unknown interventions in the latent space. Our primary focus is the identification of the latent structure in measurement models without parametric assumptions such as linearity or Gaussianity. Moreover, we do not assume the number of hidden variables is known, and we show that at most one unknown intervention per hidden variable is needed. This extends a recent line of work on learning causal representations from observations and interventions. The proofs are constructive and introduce two new graphical concepts -- imaginary subsets and isolated edges -- that may be useful in their own right. As a matter of independent interest, the proofs also involve a novel characterization of the limits of edge orientations within the equivalence class of DAGs induced by unknown interventions. These are the first results to characterize the conditions under which causal representations are identifiable without making any parametric assumptions in a general setting with unknown interventions and without faithfulness.  ( 2 min )

Delivery of items from the producer to the consumer has experienced significant growth over the past decade and has been greatly fueled by the recent pandemic. Amazon Fresh, Shopify, UberEats, InstaCart, and DoorDash are rapidly growing and are sharing the same business model of consumer items or food delivery. Existing food delivery methods are sub-optimal because each delivery is individually optimized to go directly from the producer to the consumer via the shortest time path. We observe a significant scope for reducing the costs associated with completing deliveries under the current model. We model our food delivery problem as a multi-objective optimization, where consumer satisfaction and delivery costs, both, need to be optimized. Taking inspiration from the success of ride-sharing in the taxi industry, we propose DeliverAI - a reinforcement learning-based path-sharing algorithm. Unlike previous attempts for path-sharing, DeliverAI can provide real-time, time-efficient decision-making using a Reinforcement learning-enabled agent system. Our novel agent interaction scheme leverages path-sharing among deliveries to reduce the total distance traveled while keeping the delivery completion time under check. We generate and test our methodology vigorously on a simulation setup using real data from the city of Chicago. Our results show that DeliverAI can reduce the delivery fleet size by 12\%, the distance traveled by 13%, and achieve 50% higher fleet utilization compared to the baselines.

This paper studies the problem of Anytime-Competitive Markov Decision Process (A-CMDP). Existing works on Constrained Markov Decision Processes (CMDPs) aim to optimize the expected reward while constraining the expected cost over random dynamics, but the cost in a specific episode can still be unsatisfactorily high. In contrast, the goal of A-CMDP is to optimize the expected reward while guaranteeing a bounded cost in each round of any episode against a policy prior. We propose a new algorithm, called Anytime-Competitive Reinforcement Learning (ACRL), which provably guarantees the anytime cost constraints. The regret analysis shows the policy asymptotically matches the optimal reward achievable under the anytime competitive constraints. Experiments on the application of carbon-intelligent computing verify the reward performance and cost constraint guarantee of ACRL.

The UK COVID-19 Vocal Audio Dataset is designed for the training and evaluation of machine learning models that classify SARS-CoV-2 infection status or associated respiratory symptoms using vocal audio. The UK Health Security Agency recruited voluntary participants through the national Test and Trace programme and the REACT-1 survey in England from March 2021 to March 2022, during dominant transmission of the Alpha and Delta SARS-CoV-2 variants and some Omicron variant sublineages. Audio recordings of volitional coughs, exhalations, and speech were collected in the 'Speak up to help beat coronavirus' digital survey alongside demographic, self-reported symptom and respiratory condition data, and linked to SARS-CoV-2 test results. The UK COVID-19 Vocal Audio Dataset represents the largest collection of SARS-CoV-2 PCR-referenced audio recordings to date. PCR results were linked to 70,794 of 72,999 participants and 24,155 of 25,776 positive cases. Respiratory symptoms were reported by 45.62% of participants. This dataset has additional potential uses for bioacoustics research, with 11.30% participants reporting asthma, and 27.20% with linked influenza PCR test results.

Fairness is crucial when training a deep-learning discriminative model, especially in the facial domain. Models tend to correlate specific characteristics (such as age and skin color) with unrelated attributes (downstream tasks), resulting in biases which do not correspond to reality. It is common knowledge that these correlations are present in the data and are then transferred to the models during training. This paper proposes a method to mitigate these correlations to improve fairness. To do so, we learn interpretable and meaningful paths lying in the semantic space of a pre-trained diffusion model (DiffAE) -- such paths being supervised by contrastive text dipoles. That is, we learn to edit protected characteristics (age and skin color). These paths are then applied to augment images to improve the fairness of a given dataset. We test the proposed method on CelebA-HQ and UTKFace on several downstream tasks with age and skin color as protected characteristics. As a proxy for fairness, we compute the difference in accuracy with respect to the protected characteristics. Quantitative results show how the augmented images help the model improve the overall accuracy, the aforementioned metric, and the disparity of equal opportunity. Code is available at: https://github.com/Moreno98/Vision-Language-Bias-Control.

Classical analysis of convex and non-convex optimization methods often requires the Lipshitzness of the gradient, which limits the analysis to functions bounded by quadratics. Recent work relaxed this requirement to a non-uniform smoothness condition with the Hessian norm bounded by an affine function of the gradient norm, and proved convergence in the non-convex setting via gradient clipping, assuming bounded noise. In this paper, we further generalize this non-uniform smoothness condition and develop a simple, yet powerful analysis technique that bounds the gradients along the trajectory, thereby leading to stronger results for both convex and non-convex optimization problems. In particular, we obtain the classical convergence rates for (stochastic) gradient descent and Nesterov's accelerated gradient method in the convex and/or non-convex setting under this general smoothness condition. The new analysis approach does not require gradient clipping and allows heavy-tailed noise with bounded variance in the stochastic setting.

The General Transit Feed Specification (GTFS) standard for publishing transit data is ubiquitous. GTFS being tabular data, with information spread across different files, necessitates specialized tools or packages to retrieve information. Concurrently, the use of Large Language Models(LLMs) for text and information retrieval is growing. The idea of this research is to see if the current widely adopted LLMs (ChatGPT) are able to understand GTFS and retrieve information from GTFS using natural language instructions without explicitly providing information. In this research, we benchmark OpenAI's GPT-3.5-Turbo and GPT-4 LLMs which are the backbone of ChatGPT. ChatGPT demonstrates a reasonable understanding of GTFS by answering 59.7% (GPT-3.5-Turbo) and 73.3% (GPT-4) of our multiple-choice questions (MCQ) correctly. Furthermore, we evaluated the LLMs on information extraction tasks using a filtered GTFS feed containing four routes. We found that program synthesis techniques outperformed zero-shot approaches, achieving up to 93% (90%) accuracy for simple queries and 61% (41%) for complex ones using GPT-4 (GPT-3.5-Turbo).

We study the consequences of mode-collapse of normalizing flows in the context of lattice field theory. Normalizing flows allow for independent sampling. For this reason, it is hoped that they can avoid the tunneling problem of local-update MCMC algorithms for multi-modal distributions. In this work, we first point out that the tunneling problem is also present for normalizing flows but is shifted from the sampling to the training phase of the algorithm. Specifically, normalizing flows often suffer from mode-collapse for which the training process assigns vanishingly low probability mass to relevant modes of the physical distribution. This may result in a significant bias when the flow is used as a sampler in a Markov-Chain or with Importance Sampling. We propose a metric to quantify the degree of mode-collapse and derive a bound on the resulting bias. Furthermore, we propose various mitigation strategies in particular in the context of estimating thermodynamic observables, such as the free energy.

In many applications, e.g. in healthcare and e-commerce, the goal of a contextual bandit may be to learn an optimal treatment assignment policy at the end of the experiment. That is, to minimize simple regret. However, this objective remains understudied. We propose a new family of computationally efficient bandit algorithms for the stochastic contextual bandit setting, where a tuning parameter determines the weight placed on cumulative regret minimization (where we establish near-optimal minimax guarantees) versus simple regret minimization (where we establish state-of-the-art guarantees). Our algorithms work with any function class, are robust to model misspecification, and can be used in continuous arm settings. This flexibility comes from constructing and relying on "conformal arm sets" (CASs). CASs provide a set of arms for every context, encompassing the context-specific optimal arm with a certain probability across the context distribution. Our positive results on simple and cumulative regret guarantees are contrasted with a negative result, which shows that no algorithm can achieve instance-dependent simple regret guarantees while simultaneously achieving minimax optimal cumulative regret guarantees.

Creating accurate and geologically realistic reservoir facies based on limited measurements is crucial for field development and reservoir management, especially in the oil and gas sector. Traditional two-point geostatistics, while foundational, often struggle to capture complex geological patterns. Multi-point statistics offers more flexibility, but comes with its own challenges. With the rise of Generative Adversarial Networks (GANs) and their success in various fields, there has been a shift towards using them for facies generation. However, recent advances in the computer vision domain have shown the superiority of diffusion models over GANs. Motivated by this, a novel Latent Diffusion Model is proposed, which is specifically designed for conditional generation of reservoir facies. The proposed model produces high-fidelity facies realizations that rigorously preserve conditioning data. It significantly outperforms a GAN-based alternative.

This paper presents a unified approach for maximizing continuous DR-submodular functions that encompasses a range of settings and oracle access types. Our approach includes a Frank-Wolfe type offline algorithm for both monotone and non-monotone functions, with different restrictions on the general convex set. We consider settings where the oracle provides access to either the gradient of the function or only the function value, and where the oracle access is either deterministic or stochastic. We determine the number of required oracle accesses in all cases. Our approach gives new/improved results for nine out of the sixteen considered cases, avoids computationally expensive projections in two cases, with the proposed framework matching performance of state-of-the-art approaches in the remaining five cases. Notably, our approach for the stochastic function value-based oracle enables the first regret bounds with bandit feedback for stochastic DR-submodular functions.

For the first time, multi-task learning is proposed to improve the flexibility of NN-based equalizers in coherent systems. A "single" NN-based equalizer improves Q-factor by up to 4 dB compared to CDC, without re-training, even with variations in launch power, symbol rate, or transmission distance.

This paper explores the connections between optimal transport and variational inference, with a focus on forward and reverse time stochastic differential equations and Girsanov transformations.We present a principled and systematic framework for sampling and generative modelling centred around divergences on path space. Our work culminates in the development of a novel score-based annealed flow technique (with connections to Jarzynski and Crooks identities from statistical physics) and a regularised iterative proportional fitting (IPF)-type objective, departing from the sequential nature of standard IPF. Through a series of generative modelling examples and a double-well-based rare event task, we showcase the potential of the proposed methods.

Sequence memory is an essential attribute of natural and artificial intelligence that enables agents to encode, store, and retrieve complex sequences of stimuli and actions. Computational models of sequence memory have been proposed where recurrent Hopfield-like neural networks are trained with temporally asymmetric Hebbian rules. However, these networks suffer from limited sequence capacity (maximal length of the stored sequence) due to interference between the memories. Inspired by recent work on Dense Associative Memories, we expand the sequence capacity of these models by introducing a nonlinear interaction term, enhancing separation between the patterns. We derive novel scaling laws for sequence capacity with respect to network size, significantly outperforming existing scaling laws for models based on traditional Hopfield networks, and verify these theoretical results with numerical simulation. Moreover, we introduce a generalized pseudoinverse rule to recall sequences of highly correlated patterns. Finally, we extend this model to store sequences with variable timing between states' transitions and describe a biologically-plausible implementation, with connections to motor neuroscience.

This paper is the first to attempt differentially private (DP) topological data analysis (TDA), producing near-optimal private persistence diagrams. We analyze the sensitivity of persistence diagrams in terms of the bottleneck distance, and we show that the commonly used \v{C}ech complex has sensitivity that does not decrease as the sample size $n$ increases. This makes it challenging for the persistence diagrams of \v{C}ech complexes to be privatized. As an alternative, we show that the persistence diagram obtained by the $L^1$-distance to measure (DTM) has sensitivity $O(1/n)$. Based on the sensitivity analysis, we propose using the exponential mechanism whose utility function is defined in terms of the bottleneck distance of the $L^1$-DTM persistence diagrams. We also derive upper and lower bounds of the accuracy of our privacy mechanism; the obtained bounds indicate that the privacy error of our mechanism is near-optimal. We demonstrate the performance of our privatized persistence diagrams through simulations as well as on a real dataset tracking human movement.

Machine Learning as a Service (MLaaS) APIs provide ready-to-use and high-utility encoders that generate vector representations for given inputs. Since these encoders are very costly to train, they become lucrative targets for model stealing attacks during which an adversary leverages query access to the API to replicate the encoder locally at a fraction of the original training costs. We propose Bucks for Buckets (B4B), the first active defense that prevents stealing while the attack is happening without degrading representation quality for legitimate API users. Our defense relies on the observation that the representations returned to adversaries who try to steal the encoder's functionality cover a significantly larger fraction of the embedding space than representations of legitimate users who utilize the encoder to solve a particular downstream task.vB4B leverages this to adaptively adjust the utility of the returned representations according to a user's coverage of the embedding space. To prevent adaptive adversaries from eluding our defense by simply creating multiple user accounts (sybils), B4B also individually transforms each user's representations. This prevents the adversary from directly aggregating representations over multiple accounts to create their stolen encoder copy. Our active defense opens a new path towards securely sharing and democratizing encoders over public APIs.

One of the most serious corneal disorders, keratoconus is difficult to diagnose in its early stages and can result in blindness. This illness, which often appears in the second decade of life, affects people of all sexes and races. Convolutional neural networks (CNNs), one of the deep learning approaches, have recently come to light as particularly promising tools for the accurate and timely diagnosis of keratoconus. The purpose of this study was to evaluate how well different D-CNN models identified keratoconus-related diseases. To be more precise, we compared five different CNN-based deep learning architectures (DenseNet201, InceptionV3, MobileNetV2, VGG19, Xception). In our comprehensive experimental analysis, the DenseNet201-based model performed very well in keratoconus disease identification in our extensive experimental research. This model outperformed its D-CNN equivalents, with an astounding accuracy rate of 89.14% in three crucial classes: Keratoconus, Normal, and Suspect. The results demonstrate not only the stability and robustness of the model but also its practical usefulness in real-world applications for accurate and dependable keratoconus identification. In addition, D-CNN DenseNet201 performs extraordinarily well in terms of precision, recall rates, and F1 scores in addition to accuracy. These measures validate the model's usefulness as an effective diagnostic tool by highlighting its capacity to reliably detect instances of keratoconus and to reduce false positives and negatives.

Under model misspecification, it is known that Bayesian posteriors often do not properly quantify uncertainty about true or pseudo-true parameters. Even more fundamentally, misspecification leads to a lack of reproducibility in the sense that the same model will yield contradictory posteriors on independent data sets from the true distribution. To define a criterion for reproducible uncertainty quantification under misspecification, we consider the probability that two confidence sets constructed from independent data sets have nonempty overlap, and we establish a lower bound on this overlap probability that holds for any valid confidence sets. We prove that credible sets from the standard posterior can strongly violate this bound, particularly in high-dimensional settings (i.e., with dimension increasing with sample size), indicating that it is not internally coherent under misspecification. To improve reproducibility in an easy-to-use and widely applicable way, we propose to apply bagging to the Bayesian posterior ("BayesBag"'); that is, to use the average of posterior distributions conditioned on bootstrapped datasets. We motivate BayesBag from first principles based on Jeffrey conditionalization and show that the bagged posterior typically satisfies the overlap lower bound. Further, we prove a Bernstein--Von Mises theorem for the bagged posterior, establishing its asymptotic normal distribution. We demonstrate the benefits of BayesBag via simulation experiments and an application to crime rate prediction.

Decision Trees (DTs) are commonly used for many machine learning tasks due to their high degree of interpretability. However, learning a DT from data is a difficult optimization problem, as it is non-convex and non-differentiable. Therefore, common approaches learn DTs using a greedy growth algorithm that minimizes the impurity locally at each internal node. Unfortunately, this greedy procedure can lead to inaccurate trees. In this paper, we present a novel approach for learning hard, axis-aligned DTs with gradient descent. The proposed method uses backpropagation with a straight-through operator on a dense DT representation, to jointly optimize all tree parameters. Our approach outperforms existing methods on binary classification benchmarks and achieves competitive results for multi-class tasks. The method is available under: https://github.com/s-marton/GradTree

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.

This paper introduces a novel pipeline for summarising timelines of events reported by multiple news sources. Transformer-based models for abstractive summarisation generate coherent and concise summaries of long documents but can fail to outperform established extractive methods on specialised tasks such as timeline summarisation (TLS). While extractive summaries are more faithful to their sources, they may be less readable and contain redundant or unnecessary information. This paper proposes a preference-based reinforcement learning (PBRL) method for adapting pretrained abstractive summarisers to TLS, which can overcome the drawbacks of extractive timeline summaries. We define a compound reward function that learns from keywords of interest and pairwise preference labels, which we use to fine-tune a pretrained abstractive summariser via offline reinforcement learning. We carry out both automated and human evaluation on three datasets, finding that our method outperforms a comparable extractive TLS method on two of the three benchmark datasets, and participants prefer our method's summaries to those of both the extractive TLS method and the pretrained abstractive model. The method does not require expensive reference summaries and needs only a small number of preferences to align the generated summaries with human preferences.

We explore using a moderately sized large language model (GPT-J 6B parameters) to create a plan for a simulated robot to achieve 30 classes of goals in ScienceWorld, a text game simulator for elementary science experiments. Previously published empirical work claimed that large language models (LLMs) are a poor fit (Wang et al., 2022) compared to reinforcement learning. Using the Markov assumption (a single previous step), the LLM outperforms the reinforcement learning-based approach by a factor of 1.4. When we fill the LLM's input buffer with as many prior steps as possible, improvement rises to 3.5x. Even when training on only 6.5% of the training data, we observe a 2.2x improvement over the reinforcement-learning-based approach. Our experiments show that performance varies widely across the 30 classes of actions, indicating that averaging over tasks can hide significant performance issues. In work contemporaneous with ours, Lin et al. (2023) demonstrated a two-part approach (SwiftSage) that uses a small LLM (T5-large) complemented by OpenAI's massive LLMs to achieve outstanding results in ScienceWorld. Our 6-B parameter, single-stage GPT-J matches the performance of SwiftSage's two-stage architecture when it incorporates GPT-3.5 turbo which has 29-times more parameters than GPT-J.

Multi-agent systems are characterized by environmental uncertainty, varying policies of agents, and partial observability, which result in significant risks. In the context of Multi-Agent Reinforcement Learning (MARL), learning coordinated and decentralized policies that are sensitive to risk is challenging. To formulate the coordination requirements in risk-sensitive MARL, we introduce the Risk-sensitive Individual-Global-Max (RIGM) principle as a generalization of the Individual-Global-Max (IGM) and Distributional IGM (DIGM) principles. This principle requires that the collection of risk-sensitive action selections of each agent should be equivalent to the risk-sensitive action selection of the central policy. Current MARL value factorization methods do not satisfy the RIGM principle for common risk metrics such as the Value at Risk (VaR) metric or distorted risk measurements. Therefore, we propose RiskQ to address this limitation, which models the joint return distribution by modeling quantiles of it as weighted quantile mixtures of per-agent return distribution utilities. RiskQ satisfies the RIGM principle for the VaR and distorted risk metrics. We show that RiskQ can obtain promising performance through extensive experiments. The source code of RiskQ is available in https://github.com/xmu-rl-3dv/RiskQ.

We propose a new active learning approach for efficiently estimating the geographic range of a species from a limited number of on the ground observations. We model the range of an unmapped species of interest as the weighted combination of estimated ranges obtained from a set of different species. We show that it is possible to generate this candidate set of ranges by using models that have been trained on large weakly supervised community collected observation data. From this, we develop a new active querying approach that sequentially selects geographic locations to visit that best reduce our uncertainty over an unmapped species' range. We conduct a detailed evaluation of our approach and compare it to existing active learning methods using an evaluation dataset containing expert-derived ranges for one thousand species. Our results demonstrate that our method outperforms alternative active learning methods and approaches the performance of end-to-end trained models, even when only using a fraction of the data. This highlights the utility of active learning via transfer learned spatial representations for species range estimation. It also emphasizes the value of leveraging emerging large-scale crowdsourced datasets, not only for modeling a species' range, but also for actively discovering them.

Many important tasks are defined in terms of object. To generalize across these tasks, a reinforcement learning (RL) agent needs to exploit the structure that the objects induce. Prior work has either hard-coded object-centric features, used complex object-centric generative models, or updated state using local spatial features. However, these approaches have had limited success in enabling general RL agents. Motivated by this, we introduce "Feature-Attending Recurrent Modules" (FARM), an architecture for learning state representations that relies on simple, broadly applicable inductive biases for capturing spatial and temporal regularities. FARM learns a state representation that is distributed across multiple modules that each attend to spatiotemporal features with an expressive feature attention mechanism. We show that this improves an RL agent's ability to generalize across object-centric tasks. We study task suites in both 2D and 3D environments and find that FARM better generalizes compared to competing architectures that leverage attention or multiple modules.

Out-of-distribution (OOD) detection is essential for the safe deployment of AI. Particularly, OOD detectors should generalize effectively across diverse scenarios. To improve upon the generalizability of existing OOD detectors, we introduce a highly versatile OOD detector, called Neural Collapse inspired OOD detector (NC-OOD). We extend the prevalent observation that in-distribution (ID) features tend to form clusters, whereas OOD features are far away. Particularly, based on the recent observation, Neural Collapse, we further demonstrate that ID features tend to cluster in proximity to weight vectors. From our extended observation, we propose to detect OOD based on feature proximity to weight vectors. To further rule out OOD samples, we leverage the observation that OOD features tend to reside closer to the origin than ID features. Extensive experiments show that our approach enhances the generalizability of existing work and can consistently achieve state-of-the-art OOD detection performance across a wide range of OOD Benchmarks over different classification tasks, training losses, and model architectures.

Recently, a large number of Low Earth Orbit (LEO) satellites have been launched and deployed successfully in space by commercial companies, such as SpaceX. Due to multimodal sensors equipped by the LEO satellites, they serve not only for communication but also for various machine learning applications, such as space modulation recognition, remote sensing image classification, etc. However, the ground station (GS) may be incapable of downloading such a large volume of raw sensing data for centralized model training due to the limited contact time with LEO satellites (e.g. 5 minutes). Therefore, federated learning (FL) has emerged as the promising solution to address this problem via on-device training. Unfortunately, to enable FL on LEO satellites, we still face three critical challenges that are i) heterogeneous computing and memory capabilities, ii) limited uplink rate, and iii) model staleness. To this end, we propose FedSN as a general FL framework to tackle the above challenges, and fully explore data diversity on LEO satellites. Specifically, we first present a novel sub-structure scheme to enable heterogeneous local model training considering different computing, memory, and communication constraints on LEO satellites. Additionally, we propose a pseudo-synchronous model aggregation strategy to dynamically schedule model aggregation for compensating model staleness. To further demonstrate the effectiveness of the FedSN, we evaluate it using space modulation recognition and remote sensing image classification tasks by leveraging the data from real-world satellite networks. Extensive experimental results demonstrate that FedSN framework achieves higher accuracy, lower computing, and communication overhead than the state-of-the-art benchmarks and the effectiveness of each components in FedSN.

The rapid spread of COVID-19 and the emergence of new variants underscore the importance of effective screening measures. Rapid diagnosis and subsequent quarantine of infected individuals can prevent further spread of the virus in society. While PCR tests are the gold standard for COVID-19 diagnosis, they are costly and time-consuming. In contrast, urine test strips are an inexpensive, non-invasive, and rapidly obtainable screening method that can provide important information about a patient's health status. In this study, we collected a new dataset and used the RGB (Red Green Blue) color space of urine test strips parameters to detect the health status of individuals. To improve the accuracy of our model, we converted the RGB space to 10 additional color spaces. After evaluating four different machine learning models, we proposed a new ensemble model based on a multi-layer perceptron neural network. Although the initial results were not strong, we were able to improve the model's screening performance for COVID-19 by removing uncertain regions of the model space. Ultimately, our model achieved a screening accuracy of 80% based on urine parameters. Our results suggest that urine test strips can be a useful tool for COVID-19 screening, particularly in resource-constrained settings where PCR testing may not be feasible. Further research is needed to validate our findings and explore the potential role of urine test strips in COVID-19 diagnosis and management.

We introduce LOTUS, a continual imitation learning algorithm that empowers a physical robot to continuously and efficiently learn to solve new manipulation tasks throughout its lifespan. The core idea behind LOTUS is constructing an ever-growing skill library from a sequence of new tasks with a small number of human demonstrations. LOTUS starts with a continual skill discovery process using an open-vocabulary vision model, which extracts skills as recurring patterns presented in unsegmented demonstrations. Continual skill discovery updates existing skills to avoid catastrophic forgetting of previous tasks and adds new skills to solve novel tasks. LOTUS trains a meta-controller that flexibly composes various skills to tackle vision-based manipulation tasks in the lifelong learning process. Our comprehensive experiments show that LOTUS outperforms state-of-the-art baselines by over 11% in success rate, showing its superior knowledge transfer ability compared to prior methods. More results and videos can be found on the project website: https://ut-austin-rpl.github.io/Lotus/.

Self-training is an important technique for solving semi-supervised learning problems. It leverages unlabeled data by generating pseudo-labels and combining them with a limited labeled dataset for training. The effectiveness of self-training heavily relies on the accuracy of these pseudo-labels. In this paper, we introduce doubly robust self-training, a novel semi-supervised algorithm that provably balances between two extremes. When the pseudo-labels are entirely incorrect, our method reduces to a training process solely using labeled data. Conversely, when the pseudo-labels are completely accurate, our method transforms into a training process utilizing all pseudo-labeled data and labeled data, thus increasing the effective sample size. Through empirical evaluations on both the ImageNet dataset for image classification and the nuScenes autonomous driving dataset for 3D object detection, we demonstrate the superiority of the doubly robust loss over the standard self-training baseline.

Many approaches for addressing Global Optimization problems typically rely on relaxations of nonlinear constraints over specific mathematical primitives. This is restricting in applications with constraints that are black-box, implicit or consist of more general primitives. Trying to address such limitations, Bertsimas and Ozturk (2023) proposed OCTHaGOn as a way of solving black-box global optimization problems by approximating the nonlinear constraints using hyperplane-based Decision-Trees and then using those trees to construct a unified mixed integer optimization (MIO) approximation of the original problem. We provide extensions to this approach, by (i) approximating the original problem using other MIO-representable ML models besides Decision Trees, such as Gradient Boosted Trees, Multi Layer Perceptrons and Suport Vector Machines, (ii) proposing adaptive sampling procedures for more accurate machine learning-based constraint approximations, (iii) utilizing robust optimization to account for the uncertainty of the sample-dependent training of the ML models, and (iv) leveraging a family of relaxations to address the infeasibilities of the final MIO approximation. We then test the enhanced framework in 81 Global Optimization instances. We show improvements in solution feasibility and optimality in the majority of instances. We also compare against BARON, showing improved optimality gaps or solution times in 11 instances.

Graph clustering aims at discovering a natural grouping of the nodes such that similar nodes are assigned to a common cluster. Many different algorithms have been proposed in the literature: for simple graphs, for graphs with attributes associated to nodes, and for graphs where edges represent different types of relations among nodes. However, complex data in many domains can be represented as both attributed and multi-relational networks. In this paper, we propose SpectralMix, a joint dimensionality reduction technique for multi-relational graphs with categorical node attributes. SpectralMix integrates all information available from the attributes, the different types of relations, and the graph structure to enable a sound interpretation of the clustering results. Moreover, it generalizes existing techniques: it reduces to spectral embedding and clustering when only applied to a single graph and to homogeneity analysis when applied to categorical data. Experiments conducted on several real-world datasets enable us to detect dependencies between graph structure and categorical attributes, moreover, they exhibit the superiority of SpectralMix over existing methods.

Developing deep learning models on tiny devices (e.g. Microcontroller units, MCUs) has attracted much attention in various embedded IoT applications. However, it is challenging to efficiently design and deploy recent advanced models (e.g. transformers) on tiny devices due to their severe hardware resource constraints. In this work, we propose TinyFormer, a framework specifically designed to develop and deploy resource-efficient transformers on MCUs. TinyFormer mainly consists of SuperNAS, SparseNAS and SparseEngine. Separately, SuperNAS aims to search for an appropriate supernet from a vast search space. SparseNAS evaluates the best sparse single-path model including transformer architecture from the identified supernet. Finally, SparseEngine efficiently deploys the searched sparse models onto MCUs. To the best of our knowledge, SparseEngine is the first deployment framework capable of performing inference of sparse models with transformer on MCUs. Evaluation results on the CIFAR-10 dataset demonstrate that TinyFormer can develop efficient transformers with an accuracy of $96.1\%$ while adhering to hardware constraints of $1$MB storage and $320$KB memory. Additionally, TinyFormer achieves significant speedups in sparse inference, up to $12.2\times$, when compared to the CMSIS-NN library. TinyFormer is believed to bring powerful transformers into TinyML scenarios and greatly expand the scope of deep learning applications.

Canonical correlation analysis (CCA) is a popular statistical technique for exploring relationships between datasets. In recent years, the estimation of sparse canonical vectors has emerged as an important but challenging variant of the CCA problem, with widespread applications. Unfortunately, existing rate-optimal estimators for sparse canonical vectors have high computational cost. We propose a quasi-Bayesian estimation procedure that not only achieves the minimax estimation rate, but also is easy to compute by Markov Chain Monte Carlo (MCMC). The method builds on Tan et al. (2018) and uses a re-scaled Rayleigh quotient function as the quasi-log-likelihood. However, unlike Tan et al. (2018), we adopt a Bayesian framework that combines this quasi-log-likelihood with a spike-and-slab prior to regularize the inference and promote sparsity. We investigate the empirical behavior of the proposed method on both continuous and truncated data, and we demonstrate that it outperforms several state-of-the-art methods. As an application, we use the proposed methodology to maximally correlate clinical variables and proteomic data for better understanding the Covid-19 disease.

Humans have a powerful and mysterious capacity to reason. Working through a set of mental steps enables us to make inferences we would not be capable of making directly even though we get no additional data from the world. Similarly, when large language models generate intermediate steps (a chain of thought) before answering a question, they often produce better answers than they would directly. We investigate why and how chain-of-thought reasoning is useful in language models, testing the hypothesis that reasoning is effective when training data consists of overlapping local clusters of variables that influence each other strongly. These training conditions enable the chaining of accurate local inferences to estimate relationships between variables that were not seen together in training. We prove that there will exist a "reasoning gap", where reasoning through intermediate variables reduces bias, for the simple case of an autoregressive density estimator trained on local samples from a chain-structured probabilistic model. We then test our hypothesis experimentally in more complex models, training an autoregressive language model on samples from Bayes nets but only including a subset of variables in each sample. We test language models' ability to match conditional probabilities with and without intermediate reasoning steps, finding that intermediate steps are only helpful when the training data is locally structured with respect to dependencies between variables. The combination of locally structured observations and reasoning is much more data-efficient than training on all variables. Our results illustrate how the effectiveness of reasoning step by step is rooted in the local statistical structure of the training data.

Functional Data Analysis (FDA) is a statistical domain developed to handle functional data characterized by high dimensionality and complex data structures. Sequential Neural Networks (SNNs) are specialized neural networks capable of processing sequence data, a fundamental aspect of functional data. Despite their great flexibility in modeling functional data, SNNs have been inadequately employed in the FDA community. One notable advantage of SNNs is the ease of implementation, making them accessible to a broad audience beyond academia. Conversely, FDA-based methodologies present challenges, particularly for practitioners outside the field, due to their intricate complexity. In light of this, we propose utilizing SNNs in FDA applications and demonstrate their effectiveness through comparative analyses against popular FDA regression models based on numerical experiments and real-world data analysis. SNN architectures allow us to surpass the limitations of traditional FDA methods, offering scalability, flexibility, and improved analytical performance. Our findings highlight the potential of SNN-based methodologies as powerful tools for data applications involving functional data.

The gold standard for causal model evaluation involves comparing model predictions with true effects estimated from randomized controlled trials (RCT). However, RCTs are not always feasible or ethical to perform. In contrast, conditionally randomized experiments based on inverse probability weighting (IPW) offer a more realistic approach but may suffer from high estimation variance. To tackle this challenge and enhance causal model evaluation in real-world conditional randomization settings, we introduce a novel low-variance estimator for causal error, dubbed as the pairs estimator. By applying the same IPW estimator to both the model and true experimental effects, our estimator effectively cancels out the variance due to IPW and achieves a smaller asymptotic variance. Empirical studies demonstrate the improved of our estimator, highlighting its potential on achieving near-RCT performance. Our method offers a simple yet powerful solution to evaluate causal inference models in conditional randomization settings without complicated modification of the IPW estimator itself, paving the way for more robust and reliable model assessments.

Learning from Preferential Feedback (LfPF) plays an essential role in training Large Language Models, as well as certain types of interactive learning agents. However, a substantial gap exists between the theory and application of LfPF algorithms. Current results guaranteeing the existence of optimal policies in LfPF problems assume that both the preferences and transition dynamics are determined by a Markov Decision Process. We introduce the Direct Preference Process, a new framework for analyzing LfPF problems in partially-observable, non-Markovian environments. Within this framework, we establish conditions that guarantee the existence of optimal policies by considering the ordinal structure of the preferences. Using the von Neumann-Morgenstern Expected Utility Theorem, we show that the Direct Preference Process generalizes the standard reinforcement learning problem. Our findings narrow the gap between the empirical success and theoretical understanding of LfPF algorithms and provide future practitioners with the tools necessary for a more principled design of LfPF agents.

The global challenge in chest radiograph X-ray (CXR) abnormalities often being misdiagnosed is primarily associated with perceptual errors, where healthcare providers struggle to accurately identify the location of abnormalities, rather than misclassification errors. We currently address this problem through disease-specific segmentation models. Unfortunately, these models cannot be released in the field due to their lack of generalizability across all thoracic diseases. A binary model tends to perform poorly when it encounters a disease that isn't represented in the dataset. We present CheX-nomaly: a binary localization U-net model that leverages transfer learning techniques with the incorporation of an innovative contrastive learning approach. Trained on the VinDr-CXR dataset, which encompasses 14 distinct diseases in addition to 'no finding' cases, my model achieves generalizability across these 14 diseases and others it has not seen before. We show that we can significantly improve the generalizability of an abnormality localization model by incorporating a contrastive learning method and dissociating the bounding boxes with its disease class. We also introduce a new loss technique to apply to enhance the U-nets performance on bounding box segmentation. By introducing CheX-nomaly, we offer a promising solution to enhance the precision of chest disease diagnosis, with a specific focus on reducing the significant number of perceptual errors in healthcare.

The vast majority of time-series forecasting approaches require a substantial training dataset. However, many real-life forecasting applications have very little initial observations, sometimes just 40 or fewer. Thus, the applicability of most forecasting methods is restricted in data-sparse commercial applications. While there is recent work in the setting of very limited initial data (so-called `zero-shot' forecasting), its performance is inconsistent depending on the data used for pretraining. In this work, we take a different approach and devise ForecastPFN, the first zero-shot forecasting model trained purely on a novel synthetic data distribution. ForecastPFN is a prior-data fitted network, trained to approximate Bayesian inference, which can make predictions on a new time series dataset in a single forward pass. Through extensive experiments, we show that zero-shot predictions made by ForecastPFN are more accurate and faster compared to state-of-the-art forecasting methods, even when the other methods are allowed to train on hundreds of additional in-distribution data points.

Model explainability is crucial for human users to be able to interpret how a proposed classifier assigns labels to data based on its feature values. We study generalized linear models constructed using sets of feature value rules, which can capture nonlinear dependencies and interactions. An inherent trade-off exists between rule set sparsity and its prediction accuracy. It is computationally expensive to find the right choice of sparsity -- e.g., via cross-validation -- with existing methods. We propose a new formulation to learn an ensemble of rule sets that simultaneously addresses these competing factors. Good generalization is ensured while keeping computational costs low by utilizing distributionally robust optimization. The formulation utilizes column generation to efficiently search the space of rule sets and constructs a sparse ensemble of rule sets, in contrast with techniques like random forests or boosting and their variants. We present theoretical results that motivate and justify the use of our distributionally robust formulation. Extensive numerical experiments establish that our method improves over competing methods -- on a large set of publicly available binary classification problem instances -- with respect to one or more of the following metrics: generalization quality, computational cost, and explainability.

An agent in a nonstationary contextual bandit problem should balance between exploration and the exploitation of (periodic or structured) patterns present in its previous experiences. Handcrafting an appropriate historical context is an attractive alternative to transform a nonstationary problem into a stationary problem that can be solved efficiently. However, even a carefully designed historical context may introduce spurious relationships or lack a convenient representation of crucial information. In order to address these issues, we propose an approach that learns to represent the relevant context for a decision based solely on the raw history of interactions between the agent and the environment. This approach relies on a combination of features extracted by recurrent neural networks with a contextual linear bandit algorithm based on posterior sampling. Our experiments on a diverse selection of contextual and noncontextual nonstationary problems show that our recurrent approach consistently outperforms its feedforward counterpart, which requires handcrafted historical contexts, while being more widely applicable than conventional nonstationary bandit algorithms. Although it is very difficult to provide theoretical performance guarantees for our new approach, we also prove a novel regret bound for linear posterior sampling with measurement error that may serve as a foundation for future theoretical work.

Homophily is a graph property describing the tendency of edges to connect similar nodes; the opposite is called heterophily. It is often believed that heterophilous graphs are challenging for standard message-passing graph neural networks (GNNs), and much effort has been put into developing efficient methods for this setting. However, there is no universally agreed-upon measure of homophily in the literature. In this work, we show that commonly used homophily measures have critical drawbacks preventing the comparison of homophily levels across different datasets. For this, we formalize desirable properties for a proper homophily measure and verify which measures satisfy which properties. In particular, we show that a measure that we call adjusted homophily satisfies more desirable properties than other popular homophily measures while being rarely used in graph machine learning literature. Then, we go beyond the homophily-heterophily dichotomy and propose a new characteristic that allows one to further distinguish different sorts of heterophily. The proposed label informativeness (LI) characterizes how much information a neighbor's label provides about a node's label. We prove that this measure satisfies important desirable properties. We also observe empirically that LI better agrees with GNN performance compared to homophily measures, which confirms that it is a useful characteristic of the graph structure.

In many real-world systems, such as adaptive robotics, achieving a single, optimised solution may be insufficient. Instead, a diverse set of high-performing solutions is often required to adapt to varying contexts and requirements. This is the realm of Quality-Diversity (QD), which aims to discover a collection of high-performing solutions, each with their own unique characteristics. QD methods have recently seen success in many domains, including robotics, where they have been used to discover damage-adaptive locomotion controllers. However, most existing work has focused on single-agent settings, despite many tasks of interest being multi-agent. To this end, we introduce Mix-ME, a novel multi-agent variant of the popular MAP-Elites algorithm that forms new solutions using a crossover-like operator by mixing together agents from different teams. We evaluate the proposed methods on a variety of partially observable continuous control tasks. Our evaluation shows that these multi-agent variants obtained by Mix-ME not only compete with single-agent baselines but also often outperform them in multi-agent settings under partial observability.

In this paper, we study the convergence of the Adaptive Moment Estimation (Adam) algorithm under unconstrained non-convex smooth stochastic optimizations. Despite the widespread usage in machine learning areas, its theoretical properties remain limited. Prior researches primarily investigated Adam's convergence from an expectation view, often necessitating strong assumptions like uniformly stochastic bounded gradients or problem-dependent knowledge in prior. As a result, the applicability of these findings in practical real-world scenarios has been constrained. To overcome these limitations, we provide a deep analysis and show that Adam could converge to the stationary point in high probability with a rate of $\mathcal{O}\left({\rm poly}(\log T)/\sqrt{T}\right)$ under coordinate-wise "affine" variance noise, not requiring any bounded gradient assumption and any problem-dependent knowledge in prior to tune hyper-parameters. Additionally, it is revealed that Adam confines its gradients' magnitudes within an order of $\mathcal{O}\left({\rm poly}(\log T)\right)$. Finally, we also investigate a simplified version of Adam without one of the corrective terms and obtain a convergence rate that is adaptive to the noise level.

We consider unconstrained minimization of smooth convex functions. We propose a novel variational perspective using forced Euler-Lagrange equation that allows for studying high-resolution ODEs. Through this, we obtain a faster convergence rate for gradient norm minimization using Nesterov's accelerated gradient method. Additionally, we show that Nesterov's method can be interpreted as a rate-matching discretization of an appropriately chosen high-resolution ODE. Finally, using the results from the new variational perspective, we propose a stochastic method for noisy gradients. Several numerical experiments compare and illustrate our stochastic algorithm with state of the art methods.

Recommendation systems (RS) for items (e.g., movies, books) and ads are widely used to tailor content to users on various internet platforms. Traditionally, recommendation models are trained on a central server. However, due to rising concerns for data privacy and regulations like the GDPR, federated learning is an increasingly popular paradigm in which data never leaves the client device. Applying federated learning to recommendation models is non-trivial due to large embedding tables, which often exceed the memory constraints of most user devices. To include data from all devices in federated learning, we must enable collective training of embedding tables on devices with heterogeneous memory capacities. Current solutions to heterogeneous federated learning can only accommodate a small range of capacities and thus limit the number of devices that can participate in training. We present Federated Averaging in Random subspaces (FAIR), which allows arbitrary compression of embedding tables based on device capacity and ensures the participation of all devices in training. FAIR uses what we call consistent and collapsible subspaces defined by hashing-based random projections to jointly train large embedding tables while using varying amounts of compression on user devices. We evaluate FAIR on Neural Collaborative Filtering tasks with multiple datasets and verify that FAIR can gather and share information from a wide range of devices with varying capacities, allowing for seamless collaboration. We prove the convergence of FAIR in the homogeneous setting with non-i.i.d data distribution. Our code is open source at {https://github.com/apd10/FLCF}

Text-to-image diffusion models have recently received a lot of interest for their astonishing ability to produce high-fidelity images from text only. However, achieving one-shot generation that aligns with the user's intent is nearly impossible, yet small changes to the input prompt often result in very different images. This leaves the user with little semantic control. To put the user in control, we show how to interact with the diffusion process to flexibly steer it along semantic directions. This semantic guidance (SEGA) generalizes to any generative architecture using classifier-free guidance. More importantly, it allows for subtle and extensive edits, changes in composition and style, as well as optimizing the overall artistic conception. We demonstrate SEGA's effectiveness on both latent and pixel-based diffusion models such as Stable Diffusion, Paella, and DeepFloyd-IF using a variety of tasks, thus providing strong evidence for its versatility, flexibility, and improvements over existing methods.

Human Intelligence (HI) excels at combining basic skills to solve complex tasks. This capability is vital for Artificial Intelligence (AI) and should be embedded in comprehensive AI Agents, enabling them to harness expert models for complex task-solving towards Artificial General Intelligence (AGI). Large Language Models (LLMs) show promising learning and reasoning abilities, and can effectively use external models, tools, plugins, or APIs to tackle complex problems. In this work, we introduce OpenAGI, an open-source AGI research and development platform designed for solving multi-step, real-world tasks. Specifically, OpenAGI uses a dual strategy, integrating standard benchmark tasks for benchmarking and evaluation, and open-ended tasks including more expandable models, tools, plugins, or APIs for creative problem-solving. Tasks are presented as natural language queries to the LLM, which then selects and executes appropriate models. We also propose a Reinforcement Learning from Task Feedback (RLTF) mechanism that uses task results to improve the LLM's task-solving ability, which creates a self-improving AI feedback loop. While we acknowledge that AGI is a broad and multifaceted research challenge with no singularly defined solution path, the integration of LLMs with domain-specific expert models, inspired by mirroring the blend of general and specialized intelligence in humans, offers a promising approach towards AGI. We are open-sourcing the OpenAGI project's code, dataset, benchmarks, evaluation methods, and the UI demo to foster community involvement in AGI advancement: https://github.com/agiresearch/OpenAGI.

In this paper, we address the adversarial training of neural ODEs from a robust control perspective. This is an alternative to the classical training via empirical risk minimization, and it is widely used to enforce reliable outcomes for input perturbations. Neural ODEs allow the interpretation of deep neural networks as discretizations of control systems, unlocking powerful tools from control theory for the development and the understanding of machine learning. In this specific case, we formulate the adversarial training with perturbed data as a minimax optimal control problem, for which we derive first order optimality conditions in the form of Pontryagin's Maximum Principle. We provide a novel interpretation of robust training leading to an alternative weighted technique, which we test on a low-dimensional classification task.

A stochastic process that arises by composing a function with a Markov process is called an aggregated Markov process (AMP). The purpose of composing a Markov process with a function can be a reduction of dimensions, e.g., a projection onto certain coordinates. The theory around AMP has been extensively studied e.g. by Dynkin, Cameron, Rogers and Pitman, and Kelly, all of whom provided sufficient conditions for an AMP to remain Markov. In another direction, Larget provided a canonical representation for AMP, which can be used to verify the equivalence of two AMPs. The purpose of this paper is to describe how the theory of AMP can be applied to stochastic learning theory as they learn a particular task.